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1H-1,2,4-triazole-3-carboxylic acid, 1,5-diphenyl-, 2-[(E)-9-anthracenylmethylidene]hydrazide
SpectraBase Compound ID GbRplsTwf1D
InChI InChI=1S/C30H21N5O/c36-30(28-32-29(21-11-3-1-4-12-21)35(34-28)24-15-5-2-6-16-24)33-31-20-27-25-17-9-7-13-22(25)19-23-14-8-10-18-26(23)27/h1-20H,(H,33,36)/b31-20+
InChIKey VDDFHQWRKUQDBJ-AJBULDERSA-N
Mol Weight 467.53 g/mol
Molecular Formula C30H21N5O
Exact Mass 467.17461 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2vWVi7fm8qO
Name 1H-1,2,4-Triazole-3-carboxylic acid, 1,5-diphenyl-, 2-[(E)-9-anthracenylmethylidene]hydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.174610315 u
Formula C30H21N5O
InChI InChI=1S/C30H21N5O/c36-30(28-32-29(21-11-3-1-4-12-21)35(34-28)24-15-5-2-6-16-24)33-31-20-27-25-17-9-7-13-22(25)19-23-14-8-10-18-26(23)27/h1-20H,(H,33,36)/b31-20+
InChIKey VDDFHQWRKUQDBJ-AJBULDERSA-N
Molecular Weight 467.532 g/mol
SMILES N(\N=C\C1=C2C(C=CC=C2)=CC2=C1C=CC=C2)C(C=1N=C(C2=CC=CC=C2)N(N1)C=1C=CC=CC1)=O