(-)-MENTHOXYACETYL CHLORIDE(15356-62-4) MS

Product Name(-)-MENTHOXYACETYL CHLORIDE

CAS 15356-62-4

Molecular FormulaC12H21ClO2

Molecular Weight232.75

InChIInChI=1S/C12H21ClO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1

InChIKey VNMCKLVHDJADEB-OUAUKWLOSA-N

SmilesC(Cl)(CO[C@@H]1C[C@H](C)CC[C@H]1C(C)C)=O

Request For Quotation

Mass

MS-NW-1474          
(-)-menthoxyacetyl chloride
C12H21ClO2          (Mass of molecular ion:    232)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.2
      17.0       1.0
      18.0       4.9
      27.0      23.1
      28.0      17.6
      29.0      21.6
      30.0       4.9
      31.0       2.7
      32.0       1.1
      35.0       1.7
      36.0      12.6
      38.0       4.0
      39.0      23.4
      40.0       4.3
      41.0      74.5
      42.0       8.1
      43.0      37.7
      44.0       6.8
      45.0       2.0
      49.0       5.7
      51.0       3.5
      52.0       2.1
      53.0      16.7
      54.0      12.4
      55.0      93.9
      56.0      21.9
      57.0      38.0
      58.0       2.0
      63.0       1.0
      65.0       4.1
      66.0       2.0
      67.0      45.6
      68.0      19.5
      69.0      56.3
      70.0       9.8
      71.0       7.5
      75.0       3.6
      77.0       6.7
      78.0       1.4
      79.0       9.9
      80.0       9.6
      81.0     100.0
      82.0      40.6
      83.0      93.0
      84.0       7.6
      85.0       5.4
      89.0      20.0
      90.0       1.3
      91.0       8.1
      93.0       5.4
      94.0       7.2
      95.0      87.3
      96.0      25.3
      97.0      15.8
      98.0       2.2
      99.0       1.1
     103.0       1.8
     105.0       1.7
     107.0       1.3
     109.0      11.2
     110.0       5.1
     111.0       2.7
     112.0       2.4
     117.0       1.3
     119.0       5.2
     121.0       2.4
     123.0      37.0
     124.0       3.7
     129.0       2.1
     137.0       2.7
     138.0      31.2
     139.0      45.4
     140.0       5.0
     147.0      15.1
     148.0       1.1
     149.0       4.9
     161.0       1.2
     169.0       1.4

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₂₁ Cl O₂	0.05 ml : 0.5 ml CDCl₃
(-)-menthoxyacetyl chloride

    Assign.     Shift(ppm)

      A     *1      4.470
      B     *1      4.444
      C             3.233
      D             2.257
      E             2.040
      F             1.65
      G             1.35
      J             1.27
      K          1.01 to 0.82
      L             0.929
      M     *2      0.907
      N     *2      0.791
     
     J(A,B)=-18.5HZ.
     J(C,E)=4.3HZ.
     J(D,J)=2.6HZ.
     ASSIGNED BY H-H COSY.
     90MHZ : HSP-03-394

     Hz     ppm     Int.

   1801.88   4.509    126
   1783.33   4.463    803
   1781.13   4.457     55
   1778.56   4.451    799
   1760.13   4.405    122
   1304.44   3.264     79
   1300.17   3.254     79
   1293.82   3.238    134
   1289.55   3.227    127
   1283.20   3.211     83
   1278.93   3.201     78
    911.13   2.280     58
    908.57   2.274     59
    904.05   2.263     79
    901.49   2.256     78
    897.09   2.245     62
    894.53   2.239     61
    887.45   2.221     30
    825.68   2.067     45
    823.73   2.062     51
    821.41   2.056     69
    819.58   2.051     67
    818.12   2.048     55
    816.28   2.043     49
    813.60   2.036     50
    811.65   2.031     54
    809.45   2.026     69
    807.62   2.021     65
    806.03   2.017     47
    804.08   2.012     41
    674.19   1.687     31
    671.51   1.681     62
    668.58   1.673    103
    664.92   1.664    132
    661.25   1.655    122
    658.81   1.649     87
    657.59   1.646     92
    654.42   1.638    135
    651.37   1.630    128
    648.19   1.622     94
    645.26   1.615     40
    551.27   1.380     31
    547.85   1.371     37
    546.14   1.367     42
    544.68   1.363     35
    542.72   1.358     53
    539.43   1.350     57
    536.13   1.342     57
    534.18   1.337     42
    532.84   1.334     43
    530.76   1.329     46
    527.59   1.321     46
    524.17   1.312     43
    522.09   1.307     52
    519.04   1.299     63
    516.24   1.292     49
    511.84   1.281     47
    509.77   1.276     70
    509.28   1.275     69
    508.67   1.273     69
    507.20   1.270     71
    506.35   1.267     76
    503.91   1.261     49
    499.63   1.251     48
    496.34   1.242     57
    493.65   1.236     40
    412.35   1.032     33
    408.33   1.022     44
    399.78   1.001     54
    398.32   0.997     92
    395.26   0.990     80
    391.48   0.980     39
    389.77   0.976     47
    385.86   0.966    125
    382.69   0.958    134
    381.23   0.954    161
    374.88   0.939    906
    368.29   0.922    947
    366.09   0.917   1000
    362.43   0.907    195
    359.01   0.899    982
    352.54   0.883     47
    350.83   0.878     48
    346.31   0.867    142
    344.48   0.862     91
    343.63   0.860     92
    337.65   0.845     30
    335.21   0.839     80
    333.74   0.836     71
    331.91   0.831     70
    329.71   0.825     56
    326.90   0.818     35
    319.82   0.801    977
    312.99   0.784    972
    306.76   0.768     32

¹H NMR	89.56 MHz
C₁₂ H₂₁ Cl O₂	0.04 ml : 0.5 ml CDCl₃
(-)-menthoxyacetyl chloride

    Assign.     Shift(ppm)

      A     *1      4.450
      B     *1      4.447
      C             3.22
      D             2.24
      E             2.00
      F             1.65
      G          1.47 to 0.69
      J             0.937
      K     *2      0.912
      L     *2      0.795
     
     400MHZ : HSP-41-836

     Hz     ppm     Int.

    398.44   4.449   1000
    291.31   3.253     43
    287.25   3.208     37
    281.50   3.144     33
    203.19   2.269     34
    201.13   2.246     34
    196.44   2.194     30
    194.25   2.169     32
    193.88   2.165     32
    189.94   2.121     36
    189.06   2.111     39
    187.81   2.098     32
    187.06   2.089     35
    178.94   1.998     31
    178.56   1.994     33
    178.19   1.990     30
    176.56   1.972     34
    153.44   1.714     60
    151.94   1.697     67
    150.06   1.676     32
    149.44   1.669     33
    148.88   1.663     32
    143.94   1.608     96
    125.69   1.404     30
    118.38   1.322     33
    118.00   1.318     34
    117.69   1.315     35
    116.56   1.302     41
    115.56   1.291     41
    114.56   1.280     47
    113.88   1.272     48
    112.69   1.259     42
    111.94   1.250     41
    111.31   1.243     38
    108.69   1.214     32
    108.13   1.208     33
    106.38   1.188     46
    105.19   1.175     42
    103.88   1.160     46
    103.75   1.159     46
    102.88   1.149     38
    102.44   1.144     38
    101.50   1.134     34
    101.00   1.128     30
     97.13   1.085     67
     94.69   1.058     45
     93.94   1.049     43
     92.31   1.031     48
     86.00   0.961    615
     84.81   0.947    690
     80.06   0.894    326
     77.75   0.869    541
     74.31   0.830    649
     71.69   0.801     59
     70.88   0.792     43
     69.69   0.779     41
     67.44   0.754    521
     64.56   0.721     33
     63.38   0.708     41

in CDCl3

CCl4 solution

liquid film

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