3153-36-4

乙基4-氯丁酸酯(3153-36-4)核磁图(¹³CNMR)

产品名称:乙基4-氯丁酸酯

CAS:3153-36-4

分子式:C6H11ClO2

分子量: 150.6

InChI:InChI=1S/C6H11ClO2/c1-2-9-6(8)4-3-5-7/h2-5H2,1H3

InChIKey: OPXNFHAILOHHFO-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CCCCl

Mass

MS-NW-3086          
ethyl 4-chlorobutyrate
C6H11ClO2           (Mass of molecular ion:    150)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       3.5
      26.0       4.1
      27.0      24.5
      28.0       9.8
      29.0      63.5
      30.0       1.4
      31.0       2.3
      36.0       1.1
      38.0       1.5
      39.0      12.8
      40.0       2.8
      41.0      57.8
      42.0      23.6
      43.0      13.3
      44.0       1.3
      45.0      26.4
      49.0       7.1
      51.0       2.2
      55.0       4.9
      57.0       1.0
      60.0      35.2
      61.0      12.8
      63.0       1.0
      69.0       2.8
      70.0       9.3
      73.0       6.8
      75.0       1.3
      76.0       1.6
      77.0      28.8
      78.0       2.2
      79.0       9.1
      85.0       1.2
      86.0       1.3
      87.0      19.1
      88.0      96.6
      89.0       4.5
     101.0       8.3
     104.0       1.4
     105.0     100.0
     106.0       5.1
     107.0      32.6
     108.0       1.5
     115.0       9.1
     123.0       9.8
     125.0       3.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₁ Cl O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 4-chlorobutyrate

    Assign.     Shift(ppm)

      A             4.142
      B             3.599
      C             2.48
      D             2.10
      E             1.266

     Hz     ppm     Int.

    382.00   4.266    112
    374.81   4.186    366
    367.69   4.106    385
    360.63   4.027    132
    329.00   3.674    249
    322.75   3.604    516
    316.50   3.534    321
    231.56   2.586     86
    229.94   2.568     87
    224.88   2.511    103
    223.00   2.490    247
    217.13   2.425    207
    216.06   2.413    193
    200.50   2.239     65
    199.13   2.224     63
    194.00   2.167    147
    193.50   2.161    148
    191.38   2.137     47
    187.38   2.093    187
    185.25   2.069     85
    180.94   2.021    102
    178.75   1.996     61
    120.25   1.343    488
    113.19   1.264   1000
    106.00   1.184    428

in CDCl3