Diphenylthiocarbazide(622-03-7) MS
Product NameDiphenylthiocarbazide
CAS622-03-7
Molecular FormulaC13H14N4S
Molecular Weight258.34
InChIInChI=1S/C13H14N4S/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14-15H,(H2,16,17,18)
InChIKey BNSNUHPJRKTRNT-UHFFFAOYSA-N
SmilesC(=S)(NNC1=CC=CC=C1)NNC1=CC=CC=C1
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MassMS-NW-2392 1,5-diphenylthiocarbonohydrazide C13H14N4S (Mass of molecular ion: 258)
Source Temperature: 230 °C Sample Temperature: 150 °C Direct, 75 eV
17.0 1.9 18.0 8.4 26.5 3.0 27.5 7.7 29.0 1.0 31.5 2.6 33.5 1.0 37.0 1.9 38.0 4.2 39.0 12.2 40.0 3.0 41.0 3.7 42.0 4.5 43.0 1.9 46.5 2.8 50.0 5.5 51.0 12.4 52.0 4.6 53.0 1.7 54.0 2.8 58.5 6.0 59.5 22.9 60.5 1.7 61.5 2.6 62.5 3.7 63.5 4.2 65.0 20.0 66.0 25.3 67.0 3.0 74.0 1.4 75.0 1.2 76.0 1.9 77.0 34.0 78.0 12.5 79.0 1.8 80.0 1.1 91.0 4.7 92.0 26.0 93.0 100.0 94.0 8.9 105.0 11.2 106.0 5.4 107.0 6.4 108.0 7.9 109.0 1.2 109.5 2.3 118.0 2.0 125.0 1.5 131.0 1.9 133.0 1.3 135.0 1.2 136.0 3.7 150.0 5.9 151.0 1.2 167.0 7.9 168.0 1.7 169.0 2.0 256.0 1.2 298.0 1.1
400 MHz in DMSO-d6 (at 60.0C)
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1H NMR 399.65 MHz C13 H14 N4 S 0.038 g : 0.5 ml DMSO-d6 at 60C 1,5-diphenylthiocarbonohydrazide 
Assign. Shift(ppm)
A *1 9.6 B *1 7.6 C 7.158 D 6.76 E 6.74
Hz ppm Int.3841.40 9.612 104 3053.44 7.641 38 2874.91 7.194 63 2868.96 7.179 375 2861.18 7.160 709 2853.55 7.141 454 2843.48 7.115 33 2843.02 7.114 31 2842.25 7.112 31 2841.64 7.111 32 2840.88 7.109 30 2840.27 7.107 32 2839.66 7.106 30 2709.81 6.781 280 2701.57 6.760 592 2698.52 6.753 1000 2690.73 6.733 921 2680.51 6.708 45 2679.90 6.706 43 2678.99 6.704 44 2677.46 6.700 49 2677.00 6.699 49
in DMSO-d6
KBr disc
nujol mull
