4-PROPIONYLBIPHENYL(37940-57-1) IR2
Product Name4-PROPIONYLBIPHENYL
CAS37940-57-1
Molecular FormulaC15H14O
Molecular Weight210.27
InChIInChI=1S/C15H14O/c1-2-15(16)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3
InChIKey JMBGDQSXJHLFTO-UHFFFAOYSA-N
SmilesC(C1=CC=C(C2=CC=CC=C2)C=C1)(=O)CC
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MassMS-IW-7218 4'-phenylpropiophenone C15H14O (Mass of molecular ion: 224)
Source Temperature: 140 °C Sample Temperature: 120 °C Direct, 75 eV
29.0 1.1 51.0 1.4 63.0 1.6 75.0 1.3 75.5 1.5 76.0 7.8 76.5 3.0 77.0 2.1 90.5 5.0 91.0 1.1 126.0 1.4 127.0 2.6 150.0 1.5 151.0 6.5 152.0 27.7 153.0 22.9 154.0 3.6 181.0 100.0 182.0 14.4 183.0 1.2 210.0 29.2 211.0 5.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H14 O 0.039 g : 0.5 ml CDCl3 4'-phenylpropiophenone 
Assign. Shift(ppm)
A 8.026 B 7.665 C 7.612 D 7.456 E 7.390 F 3.016 G 1.243
Hz ppm Int.3214.23 8.043 67 3212.28 8.038 388 3210.33 8.033 137 3205.69 8.022 151 3203.61 8.017 441 3201.78 8.012 73 3069.21 7.680 82 3067.26 7.675 445 3065.31 7.670 146 3060.67 7.659 147 3058.72 7.654 397 3056.76 7.649 62 3047.73 7.626 207 3046.39 7.623 297 3044.31 7.618 84 3040.65 7.609 153 3040.28 7.608 151 3039.31 7.605 306 3038.21 7.603 270 3036.01 7.597 46 2988.40 7.478 100 2987.30 7.475 164 2985.47 7.471 62 2980.22 7.458 347 2978.64 7.454 174 2974.00 7.442 107 2972.53 7.438 204 2970.34 7.433 37 2959.96 7.407 89 2958.62 7.404 160 2957.28 7.400 89 2953.61 7.391 60 2951.29 7.385 167 2948.85 7.379 41 2945.31 7.370 37 2943.97 7.367 58 2942.75 7.364 31 1216.67 3.045 138 1209.47 3.027 461 1202.15 3.009 478 1194.95 2.990 157 504.03 1.262 492 496.70 1.243 1000 489.50 1.225 483
in CDCl3
KBr disc
nujol mull
