(3,4-Diaminophenyl)phenylmethanone(39070-63-8) IR1
Product Name(3,4-Diaminophenyl)phenylmethanone
CAS39070-63-8
Molecular FormulaC13H12N2O
Molecular Weight212.25
InChIInChI=1S/C13H12N2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h1-8H,14-15H2
InChIKey RXCOGDYOZQGGMK-UHFFFAOYSA-N
SmilesC(C1=CC=C(N)C(N)=C1)(C1=CC=CC=C1)=O
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MassMS-NW-9762 3,4-diaminobenzophenone C13H12N2O (Mass of molecular ion: 212)
Source Temperature: 160 °C Sample Temperature: 120 °C Direct, 75 eV
17.0 1.2 18.0 6.2 28.0 1.4 51.0 3.5 52.0 2.3 53.0 3.3 63.0 2.0 77.0 11.9 78.0 2.2 79.0 1.8 80.0 10.4 90.0 3.5 92.0 4.1 105.0 6.8 106.0 2.3 107.0 23.5 108.0 1.9 135.0 100.0 136.0 8.5 139.0 1.3 156.0 2.6 166.0 1.5 167.0 1.2 183.0 1.3 184.0 1.2 195.0 2.7 196.0 1.5 211.0 2.0 212.0 67.9 213.0 10.5
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H12 N2 O 0.030 g : 0.5 ml CDCl3 3,4-diaminobenzophenone 
Assign. Shift(ppm)
A 7.720 B 7.521 C 7.441 D 7.304 E 7.225 F 6.666 G 3.65
Hz ppm Int.3092.04 7.737 109 3090.21 7.733 616 3088.87 7.729 757 3087.52 7.726 356 3084.11 7.718 247 3082.03 7.712 978 3080.57 7.709 797 3016.36 7.548 95 3015.01 7.545 178 3013.67 7.541 105 3009.89 7.532 133 3007.57 7.526 453 3005.49 7.521 155 3001.59 7.511 247 3000.24 7.508 408 2998.78 7.504 211 2981.57 7.461 159 2979.86 7.457 656 2978.39 7.453 286 2973.51 7.441 520 2972.17 7.437 943 2970.70 7.434 257 2966.55 7.423 171 2965.09 7.420 392 2963.99 7.417 252 2920.17 7.307 915 2918.33 7.303 1000 2915.04 7.294 30 2892.82 7.239 542 2890.99 7.234 471 2884.77 7.219 583 2882.81 7.214 523 2667.97 6.676 958 2659.79 6.656 887 1459.72 3.653 198
in CDCl3
KBr disc
nujol mull
