phenyl propionate(637-27-4) IR1
Product Namephenyl propionate
CAS637-27-4
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c1-2-9(10)11-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey DYUMLJSJISTVPV-UHFFFAOYSA-N
SmilesC(OC1=CC=CC=C1)(=O)CC
-
MassMS-NW-0663 phenyl propionate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 1.3 26.0 1.5 27.0 6.5 28.0 2.8 29.0 28.7 38.0 2.1 39.0 10.3 40.0 1.9 50.0 1.8 51.0 4.0 55.0 2.5 56.0 3.2 57.0 42.6 58.0 1.4 62.0 1.0 63.0 2.4 64.0 1.0 65.0 8.6 66.0 7.0 77.0 4.9 93.0 1.0 94.0 100.0 95.0 7.2 150.0 19.6 151.0 2.1
90 MHz in CDCl3
-
1H NMR 89.56 MHz C9 H10 O2 0.04 ml : 0.5 ml CDCl3 phenyl propionate 
Assign. Shift(ppm)
A 7.32 B 7.19 C 7.08 D 2.56 E 1.26
Hz ppm Int.668.88 7.469 50 666.75 7.445 84 664.81 7.424 60 662.50 7.398 56 660.44 7.375 279 658.63 7.355 152 657.56 7.343 163 654.50 7.308 175 652.88 7.290 475 649.88 7.257 291 648.19 7.238 228 647.19 7.227 124 646.25 7.216 90 643.69 7.188 197 637.69 7.121 396 635.88 7.101 451 633.50 7.074 118 631.25 7.049 146 629.31 7.027 246 627.88 7.011 204 241.81 2.700 113 241.25 2.694 111 233.88 2.612 441 226.31 2.527 497 219.19 2.448 171 119.44 1.334 531 114.88 1.283 40 112.06 1.252 1000 104.38 1.166 396
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
