ALPHA-HEXYL-GAMMA-BUTYROLACTONE(18436-37-8) ¹H NMR

Product NameALPHA-HEXYL-GAMMA-BUTYROLACTONE

CAS 18436-37-8

Molecular FormulaC10H18O2

Molecular Weight170.25

InChIInChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-12-10(9)11/h9H,2-8H2,1H3

InChIKey IBVDLVUXSDSVQF-UHFFFAOYSA-N

SmilesO1CCC(CCCCCC)C1=O

Request For Quotation

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3485          
alpha-hexyl-gamma-butyrolactone
C10H18O2            (Mass of molecular ion:    170)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       6.2
      28.0       1.2
      29.0       8.2
      39.0       5.9
      40.0       1.2
      41.0      17.0
      42.0       8.7
      43.0      12.2
      53.0       2.4
      54.0       1.9
      55.0      19.5
      56.0       6.8
      57.0       2.4
      58.0       5.5
      67.0       1.8
      68.0       1.4
      69.0       5.1
      70.0       3.3
      81.0       2.7
      83.0       1.5
      84.0       1.0
      85.0       6.5
      86.0     100.0
      87.0       5.6
      99.0      41.7
     100.0       3.2
     170.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
alpha-hexyl-gamma-butyrolactone

    Assign.     Shift(ppm)

      A     *1      4.335
      B     *1      4.194
      C             2.518
      D     *2      2.409
      E     *2      1.942
      F     *3      1.87
      G     *3      1.45
      J             1.39
      K             1.34
      L             1.30
      M             0.886
     
     ASSIGNED BY CH-COSY

     Hz     ppm     Int.

   1743.65   4.363    137
   1740.72   4.356    142
   1734.86   4.341    268
   1731.81   4.334    264
   1726.07   4.319    197
   1723.14   4.312    191
   1688.48   4.225    217
   1681.64   4.208    240
   1678.96   4.202    290
   1672.24   4.185    299
   1669.80   4.179    178
   1663.21   4.162    167
   1023.80   2.562     34
   1019.04   2.550     67
   1015.14   2.541     75
   1013.92   2.538     65
   1010.38   2.529    156
   1009.28   2.526    112
   1006.47   2.519     69
   1005.13   2.516     87
   1001.59   2.507    119
   1000.49   2.504    163
    996.58   2.494     50
    991.82   2.482     92
    977.54   2.446    113
    974.61   2.439    112
    970.83   2.430    117
    968.75   2.424     86
    967.90   2.422    120
    965.21   2.416    136
    962.16   2.408    177
    958.37   2.399    133
    956.30   2.393    103
    955.44   2.391    121
    953.37   2.386     91
    949.58   2.377     85
    946.66   2.369     79
    796.14   1.993     95
    787.60   1.971    119
    786.50   1.968    161
    783.69   1.961     89
    777.95   1.947    155
    776.73   1.944    122
    775.15   1.940    111
    774.17   1.938    149
    768.19   1.923     95
    765.50   1.916    147
    764.28   1.913    124
    757.81   1.897     75
    755.74   1.892    115
    753.30   1.885     65
    751.71   1.881     77
    749.51   1.876     85
    746.83   1.869     97
    744.87   1.864    113
    742.92   1.859     86
    738.04   1.847     74
    593.87   1.486     37
    586.91   1.469     83
    579.22   1.450    103
    570.43   1.428    119
    566.41   1.418    180
    562.38   1.408    255
    557.86   1.396    202
    556.64   1.393    200
    555.18   1.390    179
    549.19   1.375    193
    543.33   1.360    178
    541.63   1.356    164
    537.23   1.345    193
    536.13   1.342    189
    532.71   1.333    248
    531.74   1.331    245
    521.61   1.306    511
    518.68   1.298    697
    361.21   0.904    321
    359.38   0.900    265
    354.49   0.888   1000
    347.41   0.870    359

in CDCl3