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1-(p-Phenylbenzyl)-1H-(1,2,3)-triazole-N-[3'-(dimethylamino)propyl]-4-carboxamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-(p-Phenylbenzyl)-1H-(1,2,3)-triazole-N-[3'-(dimethylamino)propyl]-4-carboxamide
SpectraBase Compound ID JrlH5KDTYKk
InChI InChI=1S/C21H25N5O/c1-25(2)14-6-13-22-21(27)20-16-26(24-23-20)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12,16H,6,13-15H2,1-2H3,(H,22,27)
InChIKey ZJHHTSRRUDQXDU-UHFFFAOYSA-N
Mol Weight 363.47 g/mol
Molecular Formula C21H25N5O
Exact Mass 363.20591 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8A9nyBZ4f8M
Name 1-(p-Phenylbenzyl)-1H-(1,2,3)-triazole-N-[3'-(dimethylamino)propyl]-4-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.205910444 u
Formula C21H25N5O
InChI InChI=1S/C21H25N5O/c1-25(2)14-6-13-22-21(27)20-16-26(24-23-20)15-17-9-11-19(12-10-17)18-7-4-3-5-8-18/h3-5,7-12,16H,6,13-15H2,1-2H3,(H,22,27)
InChIKey ZJHHTSRRUDQXDU-UHFFFAOYSA-N
Molecular Weight 363.465 g/mol
SMILES C=1N(CC2=CC=C(C=C2)C2=CC=CC=C2)N=NC1C(NCCCN(C)C)=O