BENZYL ISOVALERATE(103-38-8) 13C NMR
Product NameBENZYL ISOVALERATE
CAS103-38-8
Molecular FormulaC12H16O2
Molecular Weight192.25
InChIInChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey HVJKZICIMIWFCP-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)CC(C)C
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MassMS-NW-5837 benzyl isovalerate C12H16O2 (Mass of molecular ion: 192)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.5 27.0 4.2 28.0 1.1 29.0 7.0 39.0 8.1 40.0 1.0 41.0 11.7 42.0 1.5 43.0 5.7 44.0 1.2 50.0 1.7 51.0 4.5 52.0 1.5 55.0 1.4 57.0 35.6 58.0 1.4 59.0 4.0 60.0 1.0 63.0 2.2 65.0 9.9 69.0 2.1 77.0 6.5 78.0 1.7 79.0 6.9 85.0 26.6 86.0 1.9 89.0 3.7 90.0 12.2 91.0 100.0 92.0 14.6 105.0 3.0 106.0 1.0 107.0 7.8 108.0 79.0 109.0 6.8 132.0 1.1 192.0 19.4 193.0 2.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C12 H16 O2 0.04 ml : 0.5 ml CDCl3 benzyl isovalerate 
Assign. Shift(ppm)
A 7.42 to 7.25 B 5.110 C 2.23 D 2.1 E 0.95
Hz ppm Int.658.31 7.351 138 657.13 7.338 1000 654.56 7.309 66 653.56 7.298 32 457.69 5.111 479 205.38 2.294 22 202.88 2.266 46 202.50 2.262 46 201.19 2.247 65 199.06 2.223 146 197.63 2.207 168 194.81 2.176 41 189.06 2.111 26 88.19 0.985 506 87.13 0.973 191 85.63 0.957 126 84.13 0.940 107 81.63 0.912 424
in CDCl3
liquid film
4880 A,200 M,liquid
