PHENETHYL FORMATE(104-62-1) MS
Product NamePHENETHYL FORMATE
CAS104-62-1
Molecular FormulaC9H10O2
Molecular Weight150.17
InChIInChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKey IKDIJXDZEYHZSD-UHFFFAOYSA-N
SmilesC(OCCC1=CC=CC=C1)=O
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MassMS-IW-8663 phenethyl formate C9H10O2 (Mass of molecular ion: 150)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.3 29.0 1.5 31.0 3.9 39.0 4.6 41.0 1.1 50.0 2.1 51.0 5.7 52.0 1.3 63.0 2.8 65.0 11.0 77.0 7.4 78.0 6.2 79.0 3.1 89.0 2.0 91.0 67.8 92.0 12.6 103.0 7.2 104.0 100.0 105.0 13.0 122.0 3.1
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H10 O2 0.04 ml : 0.5 ml CDCl3 phenethyl formate 
Assign. Shift(ppm)
A 8.000 B 7.44 to 7.04 C 4.368 D 2.959
Hz ppm Int.718.00 8.017 86 717.19 8.008 250 716.63 8.002 396 716.13 7.997 272 663.06 7.404 32 661.50 7.387 39 658.81 7.357 48 656.81 7.334 46 654.31 7.306 101 653.69 7.299 137 652.94 7.291 131 649.94 7.258 1000 648.56 7.242 840 646.50 7.219 241 646.00 7.214 167 644.00 7.191 79 643.25 7.183 97 640.38 7.151 53 639.56 7.142 35 635.31 7.094 30 398.88 4.454 166 398.44 4.449 171 398.06 4.445 155 391.88 4.376 434 391.44 4.371 333 391.06 4.367 407 384.94 4.299 207 384.38 4.292 213 271.56 3.033 220 264.63 2.955 380 257.69 2.878 174
in CDCl3
liquid film
4880 A,200 M,liquid
