4'-BROMO-2'-METHYLACETANILIDE(24106-05-6) IR1
Product Name4'-BROMO-2'-METHYLACETANILIDE
CAS24106-05-6
Molecular FormulaC9H10BrNO
Molecular Weight228.09
InChIInChI=1S/C9H10BrNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey IJZSFOIZVXCSFP-UHFFFAOYSA-N
SmilesC(NC1=CC=C(Br)C=C1C)(=O)C
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MassMS2015-05116CW 4'-bromo-2'-methylacetanilide C9H10BrNO (Mass of molecular ion: 227)
Source Temperature: 245 °C Sample Temperature: 20 °C Direct, 70 eV
17.0 1.2 18.0 6.5 39.0 1.5 43.0 13.9 44.0 2.4 50.0 1.8 51.0 4.5 52.0 2.5 57.0 1.2 63.0 2.2 75.0 1.3 76.0 1.8 77.0 8.8 78.0 7.8 79.0 4.5 89.0 2.3 90.0 1.5 104.0 8.0 105.0 5.9 106.0 38.3 107.0 4.2 147.0 1.0 149.0 2.0 184.0 12.0 185.0 100.0 186.0 19.8 187.0 99.9 188.0 8.4 227.0 43.2 228.0 4.6 229.0 41.8 230.0 4.4
in CDCl3
400 MHz at 50C
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C9 H10 Br N O 0.040 g : 0.5 ml CDCl3 at 50 C 4'-bromo-2'-methylacetanilide 
Assign. Shift(ppm)
A 7.53 B 7.29 C 7.27 D 7.16 E 2.177 F 2.120
Hz ppm Int.3010.01 7.532 34 2914.55 7.293 148 2908.45 7.278 136 2899.54 7.256 90 2863.16 7.165 32 880.86 2.205 21 870.00 2.177 1000 847.41 2.121 201
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1H NMR 399.65 MHz C9 H10 Br N O 0.038 g : 0.5 ml DMSO-d6 4'-bromo-2'-methylacetanilide Assign. Shift(ppm)
A 9.31 B 7.411 C 7.410 D 7.323 E 2.195 F 2.061
Hz ppm Int.3719.33 9.307 91 2966.46 7.423 107 2963.10 7.415 165 2961.12 7.410 180 2958.22 7.403 163 2931.37 7.335 108 2929.23 7.330 99 2922.82 7.314 69 2920.53 7.308 64 877.53 2.196 1000 823.97 2.062 669
in CDCl3
in DMSO-d6
KBr disc
nujol mull
