2-Ethylhexanoyl chloride(760-67-8) IR2

Product Name2-Ethylhexanoyl chloride

CAS 760-67-8

Molecular FormulaC8H15ClO

Molecular Weight162.66

InChIInChI=1S/C8H15ClO/c1-3-5-6-7(4-2)8(9)10/h7H,3-6H2,1-2H3

InChIKey WFSGQBNCVASPMW-UHFFFAOYSA-N

SmilesC(Cl)(=O)C(CC)CCCC

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2-Ethylhexanoyl chloride(760-67-8) IR2
Mass

MS-NW-8359          
2-ethylhexanoyl chloride
C8H15ClO            (Mass of molecular ion:    162)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      27.0      10.8
      28.0       1.9
      29.0      15.3
      36.0       8.2
      38.0       2.9
      39.0       9.1
      40.0       1.6
      41.0      30.5
      42.0       5.8
      43.0      23.9
      53.0       2.7
      54.0       1.3
      55.0      47.8
      56.0      10.7
      57.0     100.0
      58.0       4.8
      67.0       1.2
      68.0       1.1
      69.0       6.3
      70.0      11.6
      71.0       4.5
      73.0       1.6
      83.0      16.0
      84.0       1.3
      88.0       1.6
      91.0       4.7
      93.0       1.5
      97.0       1.3
      98.0       7.1
      99.0       9.3
     106.0      15.8
     107.0       1.0
     108.0       5.2
     126.0       7.1
     127.0       3.1

90 MHz in CDCl3

2-Ethylhexanoyl chloride(760-67-8) IR2

¹H NMR	89.56 MHz
C₈ H₁₅ Cl O	0.04 ml : 0.5 ml CDCl₃
2-ethylhexanoyl chloride

    Assign.     Shift(ppm)

      A             2.68
      B          2.02 to 1.48
      C          1.48 to 1.16
      D             0.97
      E             0.91

     Hz     ppm     Int.

    162.63   1.816    148
    157.81   1.763    153
    155.06   1.732    248
    151.50   1.692    176
    150.44   1.680    202
    148.94   1.664    157
    147.63   1.649    241
    144.63   1.615    187
    143.81   1.606    164
    140.63   1.571    147
    140.25   1.566    143
    123.94   1.384    349
    122.69   1.370    246
    121.63   1.359    251
    121.25   1.354    245
    120.63   1.347    242
    120.13   1.342    256
    119.06   1.330    262
    116.13   1.297    292
    113.50   1.268    193
    113.13   1.264    195
     93.69   1.047    455
     88.63   0.990    156
     86.56   0.967   1000
     83.88   0.937    223
     81.38   0.909    578
     79.06   0.883    410
     78.06   0.872    280
     75.50   0.844    155
     75.06   0.839    156

in CDCl3