2-Bromophenylacetic acid(18698-97-0) IR2
Product Name2-Bromophenylacetic acid
CAS18698-97-0
Molecular FormulaC8H7BrO2
Molecular Weight215.04
InChIInChI=1S/C8H7BrO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey DWXSYDKEWORWBT-UHFFFAOYSA-N
SmilesC1(CC(O)=O)=CC=CC=C1Br
-
MassMS-KW-0235 (o-bromophenyl)acetic acid C8H7BrO2 (Mass of molecular ion: 214)
Source Temperature: 150 °C Sample Temperature: 110 °C Direct, 75 eV
38.0 1.8 39.0 6.0 43.0 1.2 44.0 1.4 45.0 2.7 50.0 2.6 51.0 3.8 61.0 1.2 62.0 3.6 63.0 9.7 64.0 2.9 65.0 3.1 77.0 4.0 78.0 1.8 79.0 4.2 84.5 1.4 85.5 1.4 89.0 19.2 90.0 27.7 91.0 19.1 92.0 1.4 107.0 9.2 135.0 100.0 136.0 8.9 169.0 30.1 170.0 2.6 171.0 29.2 172.0 2.5 214.0 9.0 216.0 8.8
400 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H7 Br O2 0.038 g : 0.5 ml CDCl3 (o-bromophenyl)acetic acid 
Assign. Shift(ppm)
A 11. B 7.572 C 7.281 D 7.152 E 3.834
Hz ppm Int.3030.31 7.583 191 3022.43 7.563 182 2912.90 7.289 416 2911.98 7.287 428 2908.32 7.278 271 2907.77 7.276 308 2906.67 7.274 235 2866.56 7.173 101 2862.53 7.163 84 2861.43 7.160 106 2858.50 7.153 101 2857.40 7.150 85 2854.83 7.144 68 2853.18 7.140 90 2849.34 7.130 65 1532.55 3.835 1000
in CDCl3
KBr disc
nujol mull
