2-Bromo-5-chlorobenzoic acid(21739-93-5) IR1
Product Name2-Bromo-5-chlorobenzoic acid
CAS21739-93-5
Molecular FormulaC7H4BrClO2
Molecular Weight235.46
InChIInChI=1S/C7H4BrClO2/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey RBCPJQQJBAQSOU-UHFFFAOYSA-N
SmilesC(O)(=O)C1=CC(Cl)=CC=C1Br
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MassMS-NW-7339 2-bromo-5-chlorobenzoic acid C7H4BrClO2 (Mass of molecular ion: 234)
Source Temperature: 220 °C Sample Temperature: 190 °C Reservoir, 75 eV
37.0 4.0 38.0 2.3 39.0 1.0 44.0 1.6 45.0 3.8 49.0 2.8 50.0 9.4 51.0 2.4 53.0 1.7 55.0 4.1 56.0 1.3 60.0 1.1 61.0 2.3 62.0 1.8 63.0 5.5 64.0 1.2 72.0 1.2 73.0 8.6 74.0 23.8 75.0 28.3 76.0 3.4 76.5 1.1 77.0 1.5 77.5 3.4 78.5 1.1 79.0 1.1 80.0 1.1 82.0 1.1 84.0 3.6 85.0 2.0 86.0 1.6 91.0 1.0 92.0 1.3 94.5 1.6 95.5 2.1 98.0 1.0 99.0 6.9 101.0 2.9 108.0 1.0 108.5 1.7 109.0 6.2 109.5 2.4 110.0 20.3 111.0 11.5 112.0 6.9 113.0 3.5 117.0 1.2 118.0 1.1 127.0 1.8 128.0 1.2 139.0 3.3 141.0 1.2 145.0 2.2 147.0 1.2 153.0 1.9 155.0 3.9 156.0 3.7 157.0 1.4 158.0 1.1 173.0 4.4 175.0 3.0 189.0 18.4 190.0 7.2 191.0 24.2 192.0 5.4 193.0 6.3 194.0 1.2 206.0 1.5 208.0 1.8 217.0 55.6 218.0 4.7 219.0 71.7 220.0 6.0 221.0 18.1 222.0 1.7 234.0 76.7 235.0 6.5 236.0 100.0 237.0 8.5 238.0 25.0 239.0 2.3
400MHZ in DMSO-d6
KBr disc
nujol mull
