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Benzamide, N-(2,5-dihydro-5-oxo-3-phenyl-1,2,4-triazin-6-yl)-4-nitro-
SpectraBase Compound ID 3qMYJ67pCLf
InChI InChI=1S/C16H11N5O4/c22-15(11-6-8-12(9-7-11)21(24)25)18-14-16(23)17-13(19-20-14)10-4-2-1-3-5-10/h1-9H,(H,17,19,23)(H,18,20,22)
InChIKey MSZRQNFBHPXOOL-UHFFFAOYSA-N
Mol Weight 337.3 g/mol
Molecular Formula C16H11N5O4
Exact Mass 337.081104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIEC9QMZW9k
Name Benzamide, N-(2,5-dihydro-5-oxo-3-phenyl-1,2,4-triazin-6-yl)-4-nitro-
Alternate Name(s) 4-Nitro-N-(5-oxo-3-phenyl-2H-1,2,4-triazin-6-yl)benzamide 4-Nitro-N-(5-oxidanylidene-3-phenyl-2H-1,2,4-triazin-6-yl)benzamide
CAS Registry Number 112372-02-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5O4
InChI InChI=1S/C16H11N5O4/c22-15(11-6-8-12(9-7-11)21(24)25)18-14-16(23)17-13(19-20-14)10-4-2-1-3-5-10/h1-9H,(H,17,19,23)(H,18,20,22)
InChIKey MSZRQNFBHPXOOL-UHFFFAOYSA-N
Molecular Weight 337.295 g/mol
SMILES N1N=C(C(N=C1c1ccccc1)=O)NC(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0a6u-3930000000-6f41a9e6aba4b831bef8
Source of Spectrum B-40-494-7
Wiley ID 1332968