5-Bromo-2-thiophenecarboxylic acid(7311-63-9) IR1
Product Name5-Bromo-2-thiophenecarboxylic acid
CAS7311-63-9
Molecular FormulaC5H3BrO2S
Molecular Weight207.05
InChIInChI=1S/C5H3BrO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey COWZPSUDTMGBAT-UHFFFAOYSA-N
SmilesC1(C(O)=O)SC(Br)=CC=1
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MassMS-KW-0056 5-bromo-2-thenoic acid C5H3BrO2S (Mass of molecular ion: 206)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
17.0 1.6 18.0 6.7 37.0 6.8 38.0 11.5 39.0 15.3 41.0 6.6 44.0 6.2 45.0 14.0 49.0 3.6 50.0 2.2 53.0 3.0 55.0 1.7 56.0 1.3 57.0 13.8 58.0 2.9 69.0 3.9 71.0 2.1 80.0 2.9 80.5 2.0 81.0 12.7 81.5 2.0 82.0 29.5 83.0 7.9 84.0 2.7 89.0 4.3 90.0 4.2 91.0 1.9 94.5 1.1 95.5 1.3 111.0 1.9 117.0 7.9 119.0 7.7 123.0 1.1 125.0 1.1 127.0 1.2 128.0 1.6 161.0 6.6 162.0 4.0 163.0 6.7 164.0 3.9 178.0 2.1 180.0 2.2 189.0 81.8 190.0 6.9 191.0 83.1 192.0 7.0 193.0 4.1 206.0 97.8 207.0 6.5 208.0 100.0 209.0 6.4 210.0 4.9
400MHZ in CDCl3
KBr disc
nujol mull
