5-Bromovaleric acid(2067-33-6) 1H NMR
Product Name5-Bromovaleric acid
CAS2067-33-6
Molecular FormulaC5H9BrO2
Molecular Weight181.03
InChIInChI=1S/C5H9BrO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)
InChIKey WNXNUPJZWYOKMW-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCBr
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MassMS-NW-6230 5-bromovaleric acid C5H9BrO2 (Mass of molecular ion: 180)
Source Temperature: 250 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.4 15.0 3.1 17.0 1.0 18.0 3.9 26.0 8.7 27.0 48.2 28.0 22.9 29.0 33.8 30.0 1.9 31.0 7.3 37.0 1.5 38.0 2.6 39.0 23.9 40.0 4.8 41.0 59.4 42.0 36.0 43.0 26.5 44.0 3.1 45.0 15.1 50.0 2.2 51.0 2.4 53.0 6.1 54.0 6.3 55.0 100.0 56.0 31.7 57.0 6.5 58.0 3.6 59.0 30.6 60.0 5.9 70.0 5.2 71.0 1.8 73.0 86.3 74.0 8.3 79.0 3.4 80.0 9.1 81.0 3.7 82.0 9.2 83.0 39.8 84.0 2.5 87.0 3.2 93.0 1.7 95.0 1.5 100.0 9.8 101.0 77.0 102.0 4.7 107.0 4.6 109.0 4.1 152.0 1.3 154.0 1.3 180.0 1.7 182.0 1.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C5 H9 Br O2 0.042 g : 0.5 ml CDCl3 5-bromovaleric acid 
Assign. Shift(ppm)
A 11.6 B 3.33 C 2.32 D 1.75
Hz ppm Int.1038.4 11.595 289 304.9 3.404 260 303.45 3.388 116 300.29 3.353 179 298.58 3.334 1000 293.88 3.281 147 292.34 3.264 406 216.04 2.412 108 214.76 2.398 251 211.94 2.367 55 210.82 2.354 74 208.18 2.325 615 205.78 2.298 154 201.60 2.251 294 198.52 2.217 37 178.78 1.996 36 175.88 1.964 36 175.53 1.960 40 175.02 1.954 38 173.91 1.942 57 173.14 1.933 53 172.03 1.921 92 169.98 1.898 99 166.73 1.862 179 165.02 1.843 226 162.72 1.817 480 159.56 1.782 436 158.36 1.768 350 157.42 1.758 370 156.74 1.750 316 155.97 1.742 405 154.17 1.721 189 151.35 1.690 195 148.11 1.654 84 147.51 1.647 89 146.91 1.640 65 145.63 1.626 89 143.23 1.599 56 141.87 1.584 41
in CDCl3
KBr disc
nujol mull
