Ethyl 2-bromobenzoate(6091-64-1) Raman
Product NameEthyl 2-bromobenzoate
CAS6091-64-1
Molecular FormulaC9H9BrO2
Molecular Weight229.07
InChIInChI=1S/C9H9BrO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChIKey BIHHBTVQFPVSTE-UHFFFAOYSA-N
SmilesC(OCC)(=O)C1=CC=CC=C1Br
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MassMS-IW-4038 ethyl o-bromobenzoate C9H9BrO2 (Mass of molecular ion: 228)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.0 29.0 5.4 39.0 1.0 45.0 2.5 50.0 9.6 51.0 2.8 65.0 2.0 74.0 3.2 75.0 15.7 76.0 18.6 77.0 5.8 92.0 1.0 93.0 1.2 104.0 2.8 105.0 1.4 120.0 2.4 121.0 1.2 131.0 1.1 149.0 2.9 155.0 22.6 156.0 2.3 157.0 22.2 158.0 1.8 183.0 100.0 184.0 10.7 185.0 98.2 186.0 10.2 200.0 31.7 201.0 2.8 202.0 31.1 203.0 2.6 227.0 4.3 228.0 21.0 229.0 6.2 230.0 20.4 231.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H9 Br O2 0.05 ml : 0.5 ml CDCl3 ethyl o-bromobenzoate 
Assign. Shift(ppm)
A 7.762 B 7.628 C 7.334 D 7.293 E 4.389 F 1.390
Hz ppm Int.3107.79 7.777 170 3105.59 7.771 199 3100.34 7.758 172 3099.73 7.757 161 3098.27 7.753 190 3053.59 7.641 177 3052.25 7.638 167 3051.64 7.636 146 3045.65 7.621 225 3044.31 7.618 204 2940.55 7.358 83 2939.21 7.355 94 2933.11 7.340 224 2931.76 7.336 210 2925.78 7.321 181 2924.19 7.317 162 2921.75 7.311 180 2919.68 7.306 191 2913.94 7.292 175 2912.11 7.287 187 2906.49 7.273 88 2904.66 7.269 76 1765.01 4.417 196 1757.93 4.399 555 1750.73 4.381 560 1743.65 4.363 212 562.87 1.409 570 555.79 1.391 1000 548.58 1.373 567
in CDCl3
liquid film
