METHYL 3-BENZOYLPROPIONATE(25333-24-8) 13C NMR
Product NameMETHYL 3-BENZOYLPROPIONATE
CAS25333-24-8
Molecular FormulaC11H12O3
Molecular Weight192.21
InChIInChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey XVRCVKWYKYJEIG-UHFFFAOYSA-N
SmilesC1C=C(C(=O)CCC(=O)OC)C=CC=1
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MassMS-IW-4774 methyl 3-benzoylpropionate C11H12O3 (Mass of molecular ion: 192)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 1.2 27.0 1.5 50.0 2.2 51.0 8.1 55.0 2.7 59.0 1.2 76.0 1.4 77.0 32.4 78.0 2.6 87.0 1.0 105.0 100.0 106.0 7.9 115.0 2.4 131.0 1.1 133.0 2.4 160.0 2.9 161.0 14.5 162.0 1.7 174.0 1.2 192.0 6.3 193.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H12 O3 0.05 ml : 0.5 ml CDCl3 methyl 3-benzoylpropionate 
Assign. Shift(ppm)
A 7.926 B 7.554 C 7.455 D 3.691 E 3.310 F 2.757
Hz ppm Int.3194.46 7.994 35 3192.63 7.989 175 3191.28 7.986 202 3186.28 7.973 69 3184.33 7.968 233 3182.86 7.965 198 3029.05 7.580 30 3027.71 7.576 55 3026.49 7.573 33 3022.46 7.563 41 3020.39 7.558 127 3018.43 7.553 46 3014.28 7.543 62 3012.94 7.539 105 3011.72 7.536 56 2988.04 7.477 41 2986.21 7.473 165 2984.74 7.469 76 2979.74 7.456 137 2978.52 7.453 230 2972.78 7.439 48 2971.07 7.435 108 2970.34 7.433 77 1475.22 3.692 1000 1329.71 3.328 202 1323.12 3.311 372 1316.41 3.294 238 1108.40 2.774 202 1101.81 2.757 338 1095.21 2.741 179
in CDCl3
liquid film
