Ethyl valerate(539-82-2) IR1
Product NameEthyl valerate
CAS539-82-2
Molecular FormulaC7H14O2
Molecular Weight130.18
InChIInChI=1S/C7H14O2/c1-3-5-6-7(8)9-4-2/h3-6H2,1-2H3
InChIKey ICMAFTSLXCXHRK-UHFFFAOYSA-N
SmilesC(OCC)(=O)CCCC
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MassMS-NW-4697 ethyl valerate C7H14O2 (Mass of molecular ion: 130)
Source Temperature: 260 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.1 18.0 1.7 26.0 4.2 27.0 31.9 28.0 12.7 29.0 100.0 30.0 2.7 31.0 2.7 39.0 10.3 40.0 1.6 41.0 41.1 42.0 8.2 43.0 9.9 44.0 2.2 45.0 21.9 53.0 1.6 55.0 12.0 56.0 8.7 57.0 82.6 58.0 4.3 59.0 3.0 60.0 50.8 61.0 25.9 62.0 1.1 70.0 18.0 71.0 1.3 73.0 28.2 74.0 3.6 75.0 1.2 83.0 2.4 84.0 1.9 85.0 96.3 86.0 5.6 87.0 3.5 88.0 91.3 89.0 4.6 101.0 25.1 102.0 3.5 103.0 10.1 115.0 2.3 130.0 1.4
90 MHz in CDCl3
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1H NMR 89.56 MHz C7 H14 O2 0.04 ml : 0.5 ml CDCl3 ethyl valerate 
Assign. Shift(ppm)
A 0.92 B 1.255 C 1.15 to 1.82 D 2.29 E 4.122
Hz ppm Int.380.13 4.245 104 372.88 4.164 342 365.75 4.084 359 358.69 4.006 123 213.44 2.384 65 212.50 2.373 73 205.75 2.298 176 198.44 2.216 139 152.50 1.703 65 145.56 1.626 62 144.50 1.614 69 143.75 1.606 63 137.50 1.536 87 137.19 1.532 87 131.00 1.463 90 124.81 1.394 66 123.06 1.375 65 119.19 1.331 495 116.69 1.303 80 112.13 1.253 1000 110.38 1.233 101 104.94 1.172 404 103.69 1.158 64 103.56 1.157 64 89.38 0.998 99 88.44 0.988 170 87.81 0.981 161 82.00 0.916 356 80.81 0.903 145 74.63 0.834 83
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
