N,N-Diphenyl-p-phenylenediamine(74-31-7) MS
Product NameN,N-Diphenyl-p-phenylenediamine
CAS74-31-7
Molecular FormulaC18H16N2
Molecular Weight260.33
InChIInChI=1S/C18H16N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14,19-20H
InChIKey UTGQNNCQYDRXCH-UHFFFAOYSA-N
SmilesC1(NC2=CC=CC=C2)=CC=C(NC2=CC=CC=C2)C=C1
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MassMS-NW-6322 N,N'-diphenyl-p-phenylenediamine C18H16N2 (Mass of molecular ion: 260)
Source Temperature: 180 °C Sample Temperature: 120 °C Direct, 75 eV
18.0 1.2 39.0 2.4 51.0 4.3 52.0 1.2 63.0 1.4 64.0 1.0 65.0 2.4 77.0 6.3 78.0 1.6 115.0 1.5 127.0 1.1 128.0 2.7 129.0 2.8 130.0 6.1 130.5 1.1 139.0 1.3 140.0 1.0 154.0 2.3 155.0 1.1 156.0 2.1 166.0 3.5 167.0 11.5 168.0 3.7 169.0 1.2 181.0 2.3 182.0 1.7 183.0 12.9 184.0 2.1 258.0 1.4 259.0 3.5 260.0 100.0 261.0 21.3 262.0 2.2
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C18 H16 N2 0.023 g : 0.5 ml DMSO-d6 N,N'-diphenyl-p-phenylenediamine 
Assign. Shift(ppm)
A 7.88 B 7.172 C 7.043 D 6.970 E 6.720
Hz ppm Int.3150.63 7.884 233 2874.63 7.193 154 2872.68 7.188 62 2867.31 7.175 213 2866.09 7.172 244 2860.72 7.159 71 2858.76 7.154 207 2856.69 7.148 36 2814.94 7.044 1000 2790.16 6.982 215 2789.06 6.979 274 2787.11 6.974 89 2781.49 6.960 224 2780.40 6.958 194 2778.20 6.952 37 2693.85 6.741 53 2692.87 6.739 90 2691.89 6.736 57 2686.65 6.723 89 2685.55 6.720 156 2684.69 6.718 90 2679.32 6.705 50 2678.34 6.702 79 2677.37 6.700 46
in DMSO-d6
in CDCl3
KBr disc
