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N-{2-[1-(4-Methylphenyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl]vinyl}-4-nitrobenzamide
SpectraBase Compound ID 3X7VVBQWVey
InChI InChI=1S/C18H15N5O4/c1-13-2-6-15(7-3-13)22-18(25)21(12-20-22)11-10-19-17(24)14-4-8-16(9-5-14)23(26)27/h2-12H,1H3,(H,19,24)
InChIKey KBKCXIJCCRAHHW-UHFFFAOYSA-N
Mol Weight 365.35 g/mol
Molecular Formula C18H15N5O4
Exact Mass 365.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53Wh7RWtyC
Name N-{2-[1-(4-Methylphenyl)-5-oxo-1,5-dihydro-[1,2,4]triazol-4-yl]vinyl}-4-nitrobenzamide
Alternate Name(s) 4-Nitro-N-(2-(5-oxo-1-(p-tolyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl)vinyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15N5O4
InChI InChI=1S/C18H15N5O4/c1-13-2-6-15(7-3-13)22-18(25)21(12-20-22)11-10-19-17(24)14-4-8-16(9-5-14)23(26)27/h2-12H,1H3,(H,19,24)
InChIKey KBKCXIJCCRAHHW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200200144
Molecular Weight 365.349 g/mol
SMILES N(C(c1ccc(cc1)[N+](=O)[O-])=O)C=CN1C=NN(C1=O)c1ccc(cc1)C
SPLASH splash10-0uxr-3914000000-a99257709b9b4bd1a0fb
Source of Spectrum QA-49-1012-7Ac
Wiley ID 1795675