2'-ETHYLPROPIOPHENONE(16819-79-7) 1H NMR
Product Name2'-ETHYLPROPIOPHENONE
CAS16819-79-7
Molecular FormulaC11H14O
Molecular Weight162.23
InChIInChI=1S/C11H14O/c1-3-9-7-5-6-8-10(9)11(12)4-2/h5-8H,3-4H2,1-2H3
InChIKey RESNKGBFZAPADB-UHFFFAOYSA-N
SmilesC(C1=CC=CC=C1CC)(=O)CC
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MassMS-IW-2166 2'-ethylpropiophenone C11H14O (Mass of molecular ion: 162)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
27.0 2.8 29.0 3.1 39.0 2.1 50.0 1.2 51.0 3.6 55.0 2.1 57.0 1.7 63.0 1.9 65.0 1.4 77.0 11.1 78.0 2.5 79.0 9.5 89.0 2.0 90.0 1.3 91.0 3.8 102.0 1.0 103.0 6.7 104.0 2.2 105.0 20.8 106.0 1.9 115.0 3.7 128.0 1.0 133.0 100.0 134.0 10.0 162.0 20.2 163.0 2.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O 0.05 ml : 0.5 ml CDCl3 2'-ethylpropiophenone 
Assign. Shift(ppm)
A 7.511 B 7.337 C 7.239 D 7.200 E 2.859 F 2.806 G 1.200 J 1.168 G AND J WERE CONFIRMED BY H-H COSY.
Hz ppm Int.3006.84 7.524 155 3005.49 7.521 169 2999.15 7.505 174 2997.80 7.502 190 2941.89 7.362 76 2940.43 7.358 79 2934.20 7.342 172 2932.86 7.339 179 2926.76 7.324 140 2925.42 7.320 139 2896.00 7.247 213 2895.51 7.246 213 2889.04 7.229 142 2888.31 7.228 149 2887.82 7.226 146 2885.13 7.220 137 2883.79 7.216 118 2877.56 7.201 190 2876.22 7.197 180 2870.12 7.182 89 2868.90 7.179 85 1154.05 2.888 189 1146.73 2.870 533 1139.40 2.851 558 1132.08 2.833 272 1123.90 2.813 388 1116.46 2.794 402 1109.01 2.775 150 492.07 1.232 30 487.30 1.220 537 484.86 1.214 50 479.86 1.201 918 477.54 1.195 82 474.37 1.187 605 472.29 1.182 593 469.97 1.176 82 467.04 1.169 1000 462.28 1.157 52 459.84 1.151 608 457.52 1.145 53 455.32 1.140 30
in CDCl3
liquid film
