DIPHENYLCARBAZONE(538-62-5) MS
Product NameDIPHENYLCARBAZONE
CAS538-62-5
Molecular FormulaC13H12N4O
Molecular Weight240.26
InChIInChI=1S/C13H12N4O/c18-13(16-14-11-7-3-1-4-8-11)17-15-12-9-5-2-6-10-12/h1-10,14H,(H,16,18)
InChIKey ZFWAHZCOKGWUIT-UHFFFAOYSA-N
SmilesN(C(NNC1=CC=CC=C1)=O)=NC1=CC=CC=C1
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MassMS-NW-2099 1,5-diphenylcarbazone C13H12N4O (Mass of molecular ion: 240)
Source Temperature: 180 °C Sample Temperature: 180 °C Direct, 75 eV
14.0 1.0 17.0 2.2 18.0 11.3 26.0 1.7 27.0 5.0 28.0 28.8 29.0 3.1 37.0 2.5 38.0 4.8 39.0 14.0 40.0 2.8 41.0 2.6 42.0 3.0 43.0 15.1 44.0 4.7 46.5 2.0 50.0 9.1 51.0 23.6 52.0 9.9 53.0 1.8 54.0 2.2 61.0 1.1 62.0 1.6 63.0 5.0 64.0 4.1 65.0 24.7 66.0 19.3 67.0 2.5 74.0 2.4 75.0 1.5 76.0 3.8 77.0 100.0 78.0 37.3 79.0 3.1 80.0 1.1 83.5 1.8 91.0 5.3 92.0 49.8 93.0 74.6 94.0 5.8 103.0 1.8 105.0 28.8 106.0 17.9 107.0 25.6 108.0 3.2 115.0 1.0 118.0 1.5 119.0 4.5 120.0 2.1 134.0 26.6 135.0 3.0 141.0 1.1 152.0 1.3 153.0 1.9 154.0 3.7 166.0 1.3 167.0 7.0 168.0 11.9 169.0 25.0 170.0 3.4 182.0 1.0 210.0 1.6 240.0 4.6 245.0 1.5
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C13 H12 N4 O 0.032 g : 0.5 ml DMSO-d6 1,5-diphenylcarbazone 
Assign. Shift(ppm)
A *1 8.28 B *1 7.53 C 7.143 D 6.73 E 6.70
Hz ppm Int.3307.74 8.277 181 3011.47 7.536 263 2869.63 7.181 29 2864.26 7.167 296 2862.67 7.163 405 2855.47 7.145 745 2848.39 7.128 442 2847.05 7.124 435 2702.88 6.764 23 2693.24 6.739 631 2685.42 6.720 1000 2680.79 6.708 331 2677.12 6.699 580 2676.03 6.696 496 2672.24 6.687 132 2670.04 6.681 189 2664.79 6.668 32
in DMSO-d6
KBr disc
nujol mull
