Phenethyl acetate(103-45-7) 13C NMR
Product NamePhenethyl acetate
CAS103-45-7
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey MDHYEMXUFSJLGV-UHFFFAOYSA-N
SmilesC(OCCC1=CC=CC=C1)(=O)C
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MassMS-NW-0156 phenethyl acetate C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 220 °C Sample Temperature: 80 °C Reservoir, 75 eV
15.0 2.3 27.0 1.5 28.0 1.5 39.0 4.4 41.0 1.0 43.0 59.0 44.0 1.3 50.0 1.8 51.0 4.8 52.0 1.2 63.0 2.5 65.0 7.0 73.0 1.1 77.0 5.5 78.0 5.4 79.0 2.1 89.0 1.5 91.0 18.3 92.0 3.7 103.0 5.5 104.0 100.0 105.0 11.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C10 H12 O2 0.04 ml : 0.5 ml CDCl3 phenethyl acetate 
Assign. Shift(ppm)
A 7.44 to 7.07 B 4.269 C 2.926 D 2.013
Hz ppm Int.653.00 7.292 51 652.25 7.283 46 651.50 7.275 35 649.13 7.248 383 647.88 7.235 324 645.19 7.204 56 643.19 7.182 31 642.44 7.174 35 390.00 4.355 93 382.81 4.275 208 375.81 4.197 123 268.75 3.001 97 261.69 2.922 169 254.56 2.843 76 180.31 2.014 1000
in CDCl3
CCl4 solution
liquid film
4880 A,100M,liquid
