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1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(phenylmethyl)-, bis[2-(4-nitrobenzoyl)hydrazide]
SpectraBase Compound ID AvvzbMDnfRe
InChI InChI=1S/C25H19N9O8/c35-22(16-6-10-18(11-7-16)33(39)40)27-29-24(37)20-21(32(31-26-20)14-15-4-2-1-3-5-15)25(38)30-28-23(36)17-8-12-19(13-9-17)34(41)42/h1-13H,14H2,(H,27,35)(H,28,36)(H,29,37)(H,30,38)
InChIKey YLQBUFRYIIEWKA-UHFFFAOYSA-N
Mol Weight 573.48 g/mol
Molecular Formula C25H19N9O8
Exact Mass 573.135659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cw7DpTF9FK2
Name 1H-1,2,3-Triazole-4,5-dicarboxylic acid, 1-(phenylmethyl)-, bis[2-(4-nitrobenzoyl)hydrazide]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 573.135658600 u
Formula C25H19N9O8
InChI InChI=1S/C25H19N9O8/c35-22(16-6-10-18(11-7-16)33(39)40)27-29-24(37)20-21(32(31-26-20)14-15-4-2-1-3-5-15)25(38)30-28-23(36)17-8-12-19(13-9-17)34(41)42/h1-13H,14H2,(H,27,35)(H,28,36)(H,29,37)(H,30,38)
InChIKey YLQBUFRYIIEWKA-UHFFFAOYSA-N
Molecular Weight 573.482 g/mol
SMILES C1(=C(N=NN1CC=1C=CC=CC1)C(NNC(C=1C=CC(N(=O)=O)=CC1)=O)=O)C(NNC(C=1C=CC(N(=O)=O)=CC1)=O)=O