GAMMA-PHENYL-GAMMA-BUTYROLACTONE(1008-76-0) Raman

Product NameGAMMA-PHENYL-GAMMA-BUTYROLACTONE

CAS 1008-76-0

Molecular FormulaC10H10O2

Molecular Weight162.19

InChIInChI=1S/C10H10O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2

InChIKey AEUULUMEYIPECD-UHFFFAOYSA-N

SmilesO1C(C2=CC=CC=C2)CCC1=O

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Mass

MS-KW-0534          
gamma-phenyl-gamma-butyrolactone
C10H10O2            (Mass of molecular ion:    162)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.1
      26.0       1.5
      27.0       7.3
      28.0      33.1
      29.0       7.7
      38.0       2.0
      39.0      10.6
      40.0       1.0
      41.0       1.4
      42.0       1.7
      50.0       8.3
      51.0      20.9
      52.0       5.1
      53.0       1.8
      55.0       4.3
      56.0      79.2
      57.0       6.2
      57.5       3.5
      58.0       5.3
      62.0       2.5
      63.0       6.6
      64.0       1.5
      65.0       5.9
      66.0       1.4
      74.0       2.8
      75.0       2.2
      76.0       2.7
      77.0      31.7
      78.0      16.3
      79.0      16.9
      80.0       1.1
      84.0       1.7
      85.0       4.4
      89.0       4.6
      90.0       1.6
      91.0      15.3
      92.0       1.8
     102.0       1.2
     103.0       3.9
     104.0       1.6
     105.0      60.0
     106.0       9.1
     107.0      90.3
     108.0       6.9
     115.0      18.3
     116.0       7.0
     117.0      33.7
     118.0      19.3
     119.0       1.9
     120.0       2.0
     133.0       3.1
     134.0       1.6
     144.0      11.2
     145.0       1.3
     161.0      16.2
     162.0     100.0
     163.0      11.7
     164.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀H₁₀O₂	0.041 g : 0.5 ml CDCl₃
gamma-phenyl-gamma-butyrolactone

    Assign.     Shift(ppm)

     A           7.410
     B           7.33
     C           5.496
     D *1        2.64
     E *1        2.178

     Hz     ppm     Int.

   2959.84   7.404    141
   2958.13   7.400    193
   2956.67   7.396    128
   2953.86   7.389    163
   2952.76   7.386    339
   2950.93   7.382    382
   2950.32   7.380    366
   2949.35   7.378    361
   2947.39   7.373    218
   2945.81   7.369    158
   2944.22   7.365    706
   2943.36   7.363    717
   2942.02   7.360    199
   2938.48   7.351    132
   2937.38   7.348    193
   2936.41   7.345    310
   2935.31   7.343    458
   2931.28   7.333    960
   2928.59   7.326    469
   2925.79   7.319    220
   2925.05   7.317    263
   2923.83   7.314    424
   2922.49   7.311    288
   2920.66   7.306    105
   2204.35   5.514    161
   2198.25   5.499    186
   2196.42   5.495    199
   2190.19   5.479    199
   1075.69   2.691     61
   1069.83   2.677    109
   1066.78   2.669    123
   1064.34   2.663    171
   1061.04   2.655    328
   1060.43   2.653    239
   1058.84   2.649    237
   1057.38   2.645   1000
   1056.65   2.644    867
   1056.16   2.642    828
   1053.11   2.635    356
   1051.88   2.632    614
   1051.40   2.630    712
   1049.81   2.626    191
   1048.59   2.623    183
   1046.15   2.617    238
   1045.66   2.616    261
   1044.32   2.613    223
   1043.71   2.611    202
   1039.68   2.601     46
    895.27   2.240     47
    884.89   2.214    161
    883.55   2.211     82
    882.21   2.207     62
    878.79   2.199     99
    876.35   2.193    138
    875.01   2.189     89
    872.32   2.182     99
    871.59   2.181    225
    870.49   2.178    156
    868.17   2.172    150
    867.19   2.170    198
    862.19   2.157    136
    860.48   2.153     49
    859.01   2.149    131
    858.28   2.147     63
    854.38   2.138     65
    851.45   2.130     22
    845.95   2.117     51

in CDCl3