Benzyl propionate(122-63-4) 13C NMR
Product NameBenzyl propionate
CAS122-63-4
Molecular FormulaC10H12O2
Molecular Weight164.2
InChIInChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey VHOMAPWVLKRQAZ-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)CC
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MassMS2015-05288CW benzyl propionate C10H12O2 (Mass of molecular ion: 164)
Source Temperature: 250 °C Sample Temperature: 250 °C Reservoir, 70 eV
27.0 2.2 29.0 8.0 39.0 3.5 50.0 1.6 51.0 4.8 52.0 1.3 57.0 24.7 63.0 2.9 64.0 1.0 65.0 10.3 77.0 8.7 78.0 2.3 79.0 14.0 80.0 1.3 89.0 7.5 90.0 24.0 91.0 80.3 92.0 6.4 105.0 3.2 107.0 11.1 108.0 100.0 109.0 7.5 164.0 39.2 165.0 4.3
90 MHz in CDCl3
in CDCl3
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1H NMR 89.56 MHz C10 H12 O2 0.04 ml : 0.5 ml CDCl3 benzyl propionate 
Assign. Shift(ppm)
A 7.50 to 7.14 B 5.113 C 2.372 D 1.158
Hz ppm Int.657.19 7.338 1000 654.75 7.311 66 457.94 5.114 466 224.44 2.507 36 223.75 2.499 36 216.38 2.417 150 208.75 2.331 175 201.75 2.253 55 201.25 2.248 52 201.13 2.246 52 110.81 1.238 208 103.50 1.156 492 103.06 1.151 296 95.75 1.070 151 95.19 1.063 81
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in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
