METHYL VALERATE(624-24-8) Raman
Product NameMETHYL VALERATE
CAS624-24-8
Molecular FormulaC6H12O2
Molecular Weight116.16
InChIInChI=1S/C6H12O2/c1-3-4-5-6(7)8-2/h3-5H2,1-2H3
InChIKey HNBDRPTVWVGKBR-UHFFFAOYSA-N
SmilesC(OC)(=O)CCCC
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MassMS-NW-0789 methyl valerate C6H12O2 (Mass of molecular ion: 116)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
15.0 10.1 26.0 2.2 27.0 17.8 28.0 8.0 29.0 30.3 31.0 4.3 39.0 9.8 40.0 1.3 41.0 30.8 42.0 5.9 43.0 43.5 44.0 3.2 45.0 2.1 53.0 1.3 55.0 12.4 56.0 5.3 57.0 37.2 58.0 1.7 59.0 20.2 73.0 1.4 74.0 100.0 75.0 3.6 84.0 1.0 85.0 37.4 86.0 2.1 87.0 32.6 88.0 3.0 101.0 2.0
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H12 O2 0.04 ml : 0.5 ml CDCl3 methyl valerate 
Assign. Shift(ppm)
A 3.664 B 2.311 C 1.61 D 1.33 E 0.921
Hz ppm Int.328.19 3.665 1000 215.19 2.403 54 214.25 2.393 49 207.50 2.317 125 200.19 2.236 104 162.63 1.816 38 152.69 1.705 44 150.06 1.676 33 145.81 1.629 50 144.56 1.615 53 142.75 1.594 36 137.88 1.540 70 137.13 1.532 57 135.06 1.509 36 134.38 1.501 37 131.75 1.472 55 130.75 1.460 65 125.06 1.397 47 124.63 1.392 49 122.88 1.373 48 118.94 1.329 41 116.50 1.301 56 115.25 1.287 33 109.88 1.227 47 88.38 0.987 134 81.94 0.915 234 76.38 0.853 40 76.00 0.849 44 74.63 0.834 54 72.81 0.813 33
in CDCl3
CCl4 solution
liquid film
4880 A,200 M,liquid
