4-Bromobutyric acid(2623-87-2) IR2
Product Name4-Bromobutyric acid
CAS2623-87-2
Molecular FormulaC4H7BrO2
Molecular Weight167
InChIInChI=1S/C4H7BrO2/c5-3-1-2-4(6)7/h1-3H2,(H,6,7)
InChIKey GRHQDJDRGZFIPO-UHFFFAOYSA-N
SmilesC(O)(=O)CCCBr
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MassMS-NW-9336 4-bromobutyric acid C4H7BrO2 (Mass of molecular ion: 166)
Source Temperature: 260 °C Sample Temperature: 130 °C Reservoir, 75 eV
14.0 1.1 15.0 5.2 26.0 3.4 27.0 14.9 28.0 23.2 29.0 10.9 31.0 1.9 38.0 1.5 39.0 8.6 40.0 2.9 41.0 21.6 42.0 25.5 43.0 33.8 44.0 1.4 45.0 17.3 55.0 3.2 56.0 7.3 57.0 2.1 58.0 10.0 59.0 1.0 60.0 100.0 61.0 2.3 69.0 1.2 79.0 1.5 80.0 4.6 81.0 1.6 82.0 4.5 85.0 3.3 86.0 8.3 87.0 17.5
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H7 Br O2 0.05 ml : 0.5 ml CDCl3 4-bromobutyric acid 
Assign. Shift(ppm)
A 11.44 B 3.484 C 2.57 D 2.20
Hz ppm Int.1025.02 11.446 1000 318.68 3.559 402 315.53 3.524 75 312.30 3.488 863 307.91 3.439 102 306.01 3.417 519 239.14 2.671 178 237.52 2.653 184 232.47 2.596 285 230.64 2.576 528 228.37 2.550 105 224.78 2.510 436 223.83 2.500 403 221.48 2.473 85 218.63 2.442 60 217.97 2.434 58 216.72 2.420 51 215.77 2.410 47 214.82 2.399 42 213.87 2.389 38 213.21 2.381 35 212.40 2.372 36 212.11 2.369 37 208.59 2.330 126 207.13 2.313 123 202.00 2.256 329 199.44 2.227 123 195.48 2.183 400 193.29 2.159 179 190.80 2.131 71 190.43 2.127 70 188.82 2.109 214 186.91 2.087 126 182.08 2.034 52 180.40 2.015 44
in CDCl3
KBr disc
nujol mull
