GAMMA-PHENYL-GAMMA-BUTYROLACTONE(1008-76-0) IR1
Product NameGAMMA-PHENYL-GAMMA-BUTYROLACTONE
CAS1008-76-0
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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MassMS-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
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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
KBr disk
