N,N'-Diphenylbenzidine(531-91-9) MS
Product NameN,N'-Diphenylbenzidine
CAS531-91-9
Molecular FormulaC24H20N2
Molecular Weight336.43
InChIInChI=1S/C24H20N2/c1-3-7-21(8-4-1)25-23-15-11-19(12-16-23)20-13-17-24(18-14-20)26-22-9-5-2-6-10-22/h1-18,25-26H
InChIKey FDRNXKXKFNHNCA-UHFFFAOYSA-N
SmilesC1(C2=CC=C(NC3=CC=CC=C3)C=C2)=CC=C(NC2=CC=CC=C2)C=C1
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MassMS-NW-9316 N,N'-diphenylbenzidine C24H20N2 (Mass of molecular ion: 336)
Source Temperature: 230 °C Sample Temperature: 160 °C Direct, 75 eV
77.0 1.0 139.0 1.0 152.0 1.3 166.0 1.9 166.5 1.0 167.0 4.5 167.5 2.9 168.0 11.4 168.5 2.6 169.0 1.0 232.0 2.1 241.0 2.1 242.0 3.0 243.0 6.6 244.0 1.9 259.0 5.2 260.0 1.0 335.0 2.5 336.0 100.0 337.0 26.8 338.0 3.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C24 H20 N2 0.033 g : 0.5 ml DMSO-d6 N,N'-diphenylbenzidine 
Assign. Shift(ppm)
A 8.24 B 7.502 C 7.245 D 7.14 E 7.111 F 6.830
Hz ppm Int.3292.72 8.240 755 3005.37 7.521 128 3002.93 7.514 845 3000.98 7.510 342 2998.66 7.504 108 2996.09 7.497 325 2994.26 7.493 980 2906.01 7.272 75 2904.17 7.267 438 2902.34 7.263 193 2896.73 7.249 633 2895.63 7.246 766 2890.26 7.232 214 2888.31 7.228 639 2860.23 7.157 154 2857.67 7.151 1000 2855.71 7.146 379 2850.83 7.134 344 2848.88 7.129 984 2846.19 7.122 789 2845.09 7.119 910 2837.52 7.101 650 2836.55 7.098 555 2737.79 6.851 156 2736.69 6.848 270 2735.60 6.845 175 2732.91 6.839 42 2730.47 6.833 261 2729.49 6.830 469 2723.27 6.815 140 2722.17 6.812 234 2721.07 6.809 140
in DMSO-d6
KBr disc
nujol mull
