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1-Benzyl-4-N',5-N'-bis(4-methoxybenzoyl)triazole-4,5-dicarbohydrazide

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1-Benzyl-4-N',5-N'-bis(4-methoxybenzoyl)triazole-4,5-dicarbohydrazide
SpectraBase Compound ID 5SjAgjG1lr6
InChI InChI=1S/C27H25N7O6/c1-39-20-12-8-18(9-13-20)24(35)29-31-26(37)22-23(34(33-28-22)16-17-6-4-3-5-7-17)27(38)32-30-25(36)19-10-14-21(40-2)15-11-19/h3-15H,16H2,1-2H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKey VWTIKVFPZUXTRF-UHFFFAOYSA-N
Mol Weight 543.54 g/mol
Molecular Formula C27H25N7O6
Exact Mass 543.186632 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zYI8nOR2sB
Name 1-Benzyl-4-N',5-N'-bis(4-methoxybenzoyl)triazole-4,5-dicarbohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.186631547 u
Formula C27H25N7O6
InChI InChI=1S/C27H25N7O6/c1-39-20-12-8-18(9-13-20)24(35)29-31-26(37)22-23(34(33-28-22)16-17-6-4-3-5-7-17)27(38)32-30-25(36)19-10-14-21(40-2)15-11-19/h3-15H,16H2,1-2H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)
InChIKey VWTIKVFPZUXTRF-UHFFFAOYSA-N
Molecular Weight 543.540 g/mol
SMILES C1(=C(N=NN1CC=1C=CC=CC1)C(NNC(C=1C=CC(=CC1)OC)=O)=O)C(NNC(C=1C=CC(=CC1)OC)=O)=O