Ethyl isovalerate(108-64-5) Raman

Product NameEthyl isovalerate

CAS 108-64-5

Molecular FormulaC7H14O2

Molecular Weight130.18

InChIInChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3

InChIKey PPXUHEORWJQRHJ-UHFFFAOYSA-N

SmilesC(OCC)(=O)CC(C)C

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Mass

MS-NW-0977          
ethyl isovalerate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       3.4
      18.0       1.2
      26.0       2.9
      27.0      29.2
      28.0       6.4
      29.0      88.6
      30.0       1.9
      31.0       2.2
      38.0       1.2
      39.0      17.7
      40.0       2.9
      41.0      50.1
      42.0      11.3
      43.0      32.2
      44.0       1.6
      45.0      26.4
      53.0       1.2
      55.0       6.7
      56.0      10.1
      57.0      91.2
      58.0       4.3
      59.0      16.7
      60.0      58.2
      61.0      31.5
      69.0       4.7
      70.0      22.6
      71.0       1.8
      73.0       8.5
      74.0       2.0
      83.0       1.0
      85.0      81.9
      86.0       4.4
      87.0      15.6
      88.0     100.0
      89.0       4.7
     101.0       1.4
     102.0       4.0
     103.0       4.9
     115.0      10.3
     130.0       1.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
ethyl isovalerate

    Assign.     Shift(ppm)

      A             4.130
      B             2.2
      C             2.1
      D             1.257
      E             0.958

     Hz     ppm     Int.

    380.75   4.252    112
    373.44   4.170    365
    366.31   4.091    374
    359.25   4.012    128
    196.50   2.195    121
    194.94   2.177    279
    192.94   2.155    275
    192.13   2.146    238
    119.56   1.335    458
    112.50   1.257   1000
    105.31   1.176    437
     88.94   0.994    805
     87.31   0.975    297
     85.81   0.959    215
     85.44   0.954    216
     84.00   0.938    254
     82.38   0.920    666

in CDCl3