phenyl propionate(637-27-4) ¹³C NMR

Product Namephenyl propionate

CAS 637-27-4

Molecular FormulaC9H10O2

Molecular Weight150.17

InChIInChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3

InChIKey DYUMLJSJISTVPV-UHFFFAOYSA-N

SmilesC(OC1=CC=CC=C1)(=O)CC

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Mass

MS-NW-0663          
phenyl propionate
C9H10O2             (Mass of molecular ion:    150)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       1.3
      26.0       1.5
      27.0       6.5
      28.0       2.8
      29.0      28.7
      38.0       2.1
      39.0      10.3
      40.0       1.9
      50.0       1.8
      51.0       4.0
      55.0       2.5
      56.0       3.2
      57.0      42.6
      58.0       1.4
      62.0       1.0
      63.0       2.4
      64.0       1.0
      65.0       8.6
      66.0       7.0
      77.0       4.9
      93.0       1.0
      94.0     100.0
      95.0       7.2
     150.0      19.6
     151.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
phenyl propionate

    Assign.     Shift(ppm)

      A             7.32
      B             7.19
      C             7.08
      D             2.56
      E             1.26

     Hz     ppm     Int.

    668.88   7.469     50
    666.75   7.445     84
    664.81   7.424     60
    662.50   7.398     56
    660.44   7.375    279
    658.63   7.355    152
    657.56   7.343    163
    654.50   7.308    175
    652.88   7.290    475
    649.88   7.257    291
    648.19   7.238    228
    647.19   7.227    124
    646.25   7.216     90
    643.69   7.188    197
    637.69   7.121    396
    635.88   7.101    451
    633.50   7.074    118
    631.25   7.049    146
    629.31   7.027    246
    627.88   7.011    204
    241.81   2.700    113
    241.25   2.694    111
    233.88   2.612    441
    226.31   2.527    497
    219.19   2.448    171
    119.44   1.334    531
    114.88   1.283     40
    112.06   1.252   1000
    104.38   1.166    396

in CDCl3