2-BROMOBENZAMIDE(4001-73-4) 1H NMR
Product Name2-BROMOBENZAMIDE
CAS4001-73-4
Molecular FormulaC7H6BrNO
Molecular Weight200.03
InChIInChI=1S/C7H6BrNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey NHNAEZDWNCRWRW-UHFFFAOYSA-N
SmilesC(N)(=O)C1=CC=CC=C1Br
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MassMS-NW-7901 o-bromobenzamide C7H6BrNO (Mass of molecular ion: 199)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.9 27.0 1.3 28.0 1.7 37.0 3.1 38.0 6.6 39.0 3.1 44.0 12.0 45.5 2.8 46.0 1.1 49.0 2.5 50.0 25.8 51.0 11.1 52.0 2.2 60.0 1.3 63.0 1.6 64.0 1.1 65.0 4.2 73.0 2.2 74.0 10.7 75.0 25.8 76.0 25.8 77.0 17.1 77.5 1.1 78.0 1.2 78.5 1.1 85.5 1.9 86.5 2.0 90.0 1.2 91.0 1.7 91.5 1.2 92.0 1.5 92.5 1.0 102.0 3.2 104.0 2.6 111.0 2.2 139.0 6.0 141.0 2.0 155.0 32.6 156.0 3.6 157.0 31.2 158.0 3.1 181.0 1.8 183.0 100.0 184.0 8.3 185.0 96.1 186.0 7.6 199.0 59.3 200.0 5.2 201.0 58.1 202.0 5.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C7 H6 Br N O 0.039 g : 0.5 ml DMSO-d6 o-bromobenzamide 
Assign. Shift(ppm)
A *1 7.88 B 7.634 C *1 7.58 D 7.41 E 7.333
Hz ppm Int.3147.58 7.876 171 3055.42 7.646 369 3047.64 7.626 519 3028.11 7.577 174 2972.56 7.438 59 2971.50 7.436 76 2969.82 7.432 37 2965.09 7.420 336 2964.02 7.417 394 2961.73 7.411 470 2958.37 7.403 1000 2954.56 7.393 134 2954.10 7.392 125 2951.97 7.387 42 2943.12 7.365 42 2938.54 7.353 293 2935.18 7.345 230 2932.74 7.339 217 2930.60 7.333 265 2929.38 7.330 195 2927.09 7.325 191 2924.96 7.319 199 2921.45 7.311 154
DMSO-d6
KBr disc
nujol mull
