Valeric acid(109-52-4) 1H NMR
Product NameValeric acid
CAS109-52-4
Molecular FormulaC5H10O2
Molecular Weight102.13
InChIInChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
InChIKey NQPDZGIKBAWPEJ-UHFFFAOYSA-N
SmilesC(O)(=O)CCCC
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MassMS-NW-3125 valeric acid C5H10O2 (Mass of molecular ion: 102)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.9 27.0 13.7 28.0 5.7 29.0 14.7 31.0 1.3 39.0 6.5 41.0 15.0 42.0 6.9 43.0 7.8 45.0 6.7 55.0 5.7 56.0 4.0 57.0 2.7 59.0 1.0 60.0 100.0 61.0 4.2 73.0 37.2 74.0 3.8 85.0 1.0 87.0 2.3
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H10 O2 0.05 ml : 0.5 ml CDCl3 valeric acid 
Assign. Shift(ppm)
A 11.96 B 2.35 C 1.62 D 1.39 E 0.93
Hz ppm Int.1070.68 11.955 761 219.09 2.447 188 218.15 2.436 202 211.40 2.361 537 204.22 2.281 408 161.33 1.802 34 160.05 1.788 59 153.89 1.719 163 151.33 1.690 123 147.14 1.643 196 146.12 1.632 187 144.15 1.610 144 140.31 1.567 197 139.28 1.556 281 136.63 1.526 146 133.13 1.487 245 128.52 1.436 132 127.15 1.420 184 125.44 1.401 183 123.65 1.381 73 121.51 1.357 144 118.86 1.328 184 116.98 1.307 77 115.36 1.289 80 112.37 1.255 163 111.08 1.241 81 105.79 1.182 75 90.32 1.009 305 89.29 0.997 498 82.97 0.927 1000 81.60 0.912 385 76.82 0.858 166 75.54 0.844 227 73.57 0.822 106
in CDCl3
liquid film
