Benzyl isobutyrate(103-28-6) 1H NMR
Product NameBenzyl isobutyrate
CAS103-28-6
Molecular FormulaC11H14O2
Molecular Weight178.23
InChIInChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey UIKJRDSCEYGECG-UHFFFAOYSA-N
SmilesC(OCC1=CC=CC=C1)(=O)C(C)C
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MassMS-NW-6368 benzyl isobutyrate C11H14O2 (Mass of molecular ion: 178)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
18.0 1.3 27.0 5.3 28.0 1.8 39.0 6.9 41.0 7.3 42.0 1.5 43.0 32.6 44.0 1.4 50.0 1.6 51.0 4.4 52.0 1.2 63.0 2.4 65.0 9.4 70.0 1.0 71.0 17.2 77.0 5.9 78.0 1.3 79.0 6.0 89.0 3.7 90.0 8.5 91.0 100.0 92.0 8.2 105.0 1.9 107.0 5.0 108.0 34.2 109.0 2.7 178.0 21.1 179.0 2.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C11 H14 O2 0.05 ml : 0.5 ml CDCl3 benzyl isobutyrate 
Assign. Shift(ppm)
A 7.32 B 7.28 C 5.096 D 2.579 E 1.173
Hz ppm Int.2933.59 7.341 75 2931.52 7.336 334 2930.54 7.333 287 2928.83 7.329 148 2926.88 7.324 706 2924.32 7.318 79 2921.75 7.311 81 2919.68 7.306 30 2917.85 7.302 104 2914.92 7.294 78 2913.70 7.291 63 2913.09 7.290 76 2910.52 7.283 39 2909.18 7.280 68 2906.74 7.274 34 2904.05 7.267 40 2036.87 5.097 606 1045.17 2.616 47 1038.09 2.598 116 1031.13 2.581 155 1024.17 2.563 120 1017.09 2.545 52 472.66 1.183 1000 470.09 1.177 65 465.70 1.166 968 463.13 1.159 95
in CDCl3
liquid film
4880 A,200 M,liquid
