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N-(3-dimethylaminopropyl)-1-(4-phenylbenzyl)-5-phenyl-1H-1,2,3-triazole-4-carboxamide

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N-(3-dimethylaminopropyl)-1-(4-phenylbenzyl)-5-phenyl-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID 4BOUorDDLhi
InChI InChI=1S/C27H29N5O/c1-31(2)19-9-18-28-27(33)25-26(24-12-7-4-8-13-24)32(30-29-25)20-21-14-16-23(17-15-21)22-10-5-3-6-11-22/h3-8,10-17H,9,18-20H2,1-2H3,(H,28,33)
InChIKey XQYBHXDNVQNTJL-UHFFFAOYSA-N
Mol Weight 439.56 g/mol
Molecular Formula C27H29N5O
Exact Mass 439.237211 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWYsqUnsEMJ
Name N-(3-Dimethylaminopropyl)-1-(4-phenylbenzyl)-5-phenyl-1H-1,2,3-triazole-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 439.237210573 u
Formula C27H29N5O
InChI InChI=1S/C27H29N5O/c1-31(2)19-9-18-28-27(33)25-26(24-12-7-4-8-13-24)32(30-29-25)20-21-14-16-23(17-15-21)22-10-5-3-6-11-22/h3-8,10-17H,9,18-20H2,1-2H3,(H,28,33)
InChIKey XQYBHXDNVQNTJL-UHFFFAOYSA-N
Molecular Weight 439.563 g/mol
SMILES C=1(N(N=NC1C(=O)NCCCN(C)C)CC1=CC=C(C=C1)C1=CC=CC=C1)C=1C=CC=CC1