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N-(1-benzhydryl-3-nitro-1H-1,2,4-triazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)amine

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N-(1-benzhydryl-3-nitro-1H-1,2,4-triazol-5-yl)-N-(1H-1,2,4-triazol-5-yl)amine
SpectraBase Compound ID 6ni9Q3exG0i
InChI InChI=1S/C17H14N8O2/c26-25(27)17-21-16(20-15-18-11-19-22-15)24(23-17)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H,(H2,18,19,20,21,22,23)
InChIKey ARIUSNLUWWWGDU-UHFFFAOYSA-N
Mol Weight 362.35 g/mol
Molecular Formula C17H14N8O2
Exact Mass 362.123972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rLXIPpE5LU
Name (2-Benzhydryl-5-nitro-2H-[1,2,4]triazol-3-yl)-(2H-[1,2,4]triazol-3-yl)-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.123971721 u
Formula C17H14N8O2
InChI InChI=1S/C17H14N8O2/c26-25(27)17-21-16(20-15-18-11-19-22-15)24(23-17)14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,14H,(H2,18,19,20,21,22,23)
InChIKey ARIUSNLUWWWGDU-UHFFFAOYSA-N
Molecular Weight 362.353 g/mol
SMILES C=1(N=C(NC2=NC=NN2)N(N1)C(C1=CC=CC=C1)C1=CC=CC=C1)N(=O)=O