Ethyl isovalerate(108-64-5) 1H NMR
Product NameEthyl isovalerate
CAS108-64-5
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-4-9-7(8)5-6(2)3/h6H,4-5H2,1-3H3
InChIKey PPXUHEORWJQRHJ-UHFFFAOYSA-N
SmilesC(OCC)(=O)CC(C)C
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MassMS-NW-0977 ethyl isovalerate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 280 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 3.4 18.0 1.2 26.0 2.9 27.0 29.2 28.0 6.4 29.0 88.6 30.0 1.9 31.0 2.2 38.0 1.2 39.0 17.7 40.0 2.9 41.0 50.1 42.0 11.3 43.0 32.2 44.0 1.6 45.0 26.4 53.0 1.2 55.0 6.7 56.0 10.1 57.0 91.2 58.0 4.3 59.0 16.7 60.0 58.2 61.0 31.5 69.0 4.7 70.0 22.6 71.0 1.8 73.0 8.5 74.0 2.0 83.0 1.0 85.0 81.9 86.0 4.4 87.0 15.6 88.0 100.0 89.0 4.7 101.0 1.4 102.0 4.0 103.0 4.9 115.0 10.3 130.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 ethyl isovalerate 
Assign. Shift(ppm)
A 4.130 B 2.2 C 2.1 D 1.257 E 0.958
Hz ppm Int.380.75 4.252 112 373.44 4.170 365 366.31 4.091 374 359.25 4.012 128 196.50 2.195 121 194.94 2.177 279 192.94 2.155 275 192.13 2.146 238 119.56 1.335 458 112.50 1.257 1000 105.31 1.176 437 88.94 0.994 805 87.31 0.975 297 85.81 0.959 215 85.44 0.954 216 84.00 0.938 254 82.38 0.920 666
in CDCl3
liquid film
4880 A,200 M,liquid
