4-Ethylbenzoic acid(619-64-7) IR2
Product Name4-Ethylbenzoic acid
CAS619-64-7
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey ZQVKTHRQIXSMGY-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC=C(CC)C=C1
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MassMS-NW-6552 p-ethylbenzoic acid C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
27.0 5.7 28.0 2.8 38.0 1.8 39.0 7.5 41.0 1.1 44.0 1.0 45.0 2.4 50.0 6.7 51.0 12.6 52.0 2.4 53.0 2.9 62.0 2.4 63.0 6.1 64.0 1.6 65.0 4.7 66.0 1.0 74.0 2.9 75.0 2.3 76.0 2.2 77.0 23.7 78.0 5.3 79.0 12.4 89.0 5.8 90.0 4.3 91.0 17.6 92.0 1.4 102.0 1.7 103.0 8.8 104.0 3.8 105.0 100.0 106.0 10.6 107.0 24.0 108.0 1.8 131.0 1.9 132.0 1.3 133.0 6.9 135.0 64.0 136.0 6.1 149.0 1.3 150.0 63.6 151.0 6.6
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 saturated in CDCl3 p-ethylbenzoic acid 
Assign. Shift(ppm)
A 12.1 B 8.038 C 7.29 D 2.71 E 1.267
Hz ppm Int.1079.74 12.057 84 724.52 8.090 431 722.81 8.071 185 720.34 8.044 80 717.94 8.017 225 716.15 7.997 535 657.19 7.338 463 653.09 7.293 80 648.65 7.243 552 255.15 2.849 96 247.46 2.764 308 244.73 2.733 65 244.04 2.725 61 242.50 2.708 83 239.94 2.680 347 236.18 2.638 53 232.51 2.597 140 120.65 1.348 491 117.15 1.309 79 113.13 1.264 1000 109.20 1.220 73 105.44 1.178 377
in CDCl3
KBr disc
nujol mull
