Carbamazepine(298-46-4) IR2
Product NameCarbamazepine
CAS298-46-4
Molecular FormulaC15H12N2O
Molecular Weight236.27
InChIInChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKey FFGPTBGBLSHEPO-UHFFFAOYSA-N
SmilesN1(C(N)=O)C2=CC=CC=C2C=CC2=CC=CC=C12
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MassMS-IW-6351 5H-dibenz(b,f)azepine-5-carboxamide C15H12N2O (Mass of molecular ion: 236)
Source Temperature: 170 °C Sample Temperature: 130 °C Direct, 75 eV
43.0 3.0 63.0 1.2 81.5 1.1 82.0 1.4 82.5 1.7 83.5 3.7 89.0 1.5 95.5 4.9 96.0 1.2 96.5 4.8 139.0 1.6 140.0 1.3 152.0 1.0 163.0 2.2 164.0 2.7 165.0 10.7 166.0 4.0 167.0 4.8 177.0 1.2 178.0 2.0 189.0 1.0 190.0 6.9 191.0 14.1 192.0 28.4 193.0 100.0 194.0 15.4 195.0 1.2 236.0 21.5 237.0 3.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H12 N2 O 0.038 g : 0.5 ml CDCl3 5H-dibenz(b,f)azepine-5-carboxamide 
Assign. Shift(ppm)
A 7.444 B 7.398 C 7.339 D 7.300 E 6.908 F 5.0
Hz ppm Int.2981.08 7.460 186 2979.98 7.457 202 2973.27 7.440 432 2972.05 7.437 435 2964.11 7.417 271 2962.28 7.413 288 2959.96 7.407 31 2957.28 7.400 328 2955.44 7.396 387 2954.47 7.393 163 2949.34 7.380 167 2947.51 7.376 216 2939.21 7.355 153 2937.62 7.351 198 2931.76 7.336 428 2929.93 7.332 361 2923.34 7.315 340 2921.88 7.312 329 2916.50 7.298 264 2915.16 7.295 284 2914.31 7.293 181 2908.81 7.279 114 2907.35 7.275 112 2760.99 6.909 1000 1981.32 4.958 47
KBr disc
nujol mull
