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1H-1,2,3-triazole-4-carboxamide, 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-
SpectraBase Compound ID 1knPxmoGOZt
InChI InChI=1S/C20H23N5O4/c1-27-15-7-5-14(6-8-15)25-19(21)18(23-24-25)20(26)22-11-10-13-4-9-16(28-2)17(12-13)29-3/h4-9,12H,10-11,21H2,1-3H3,(H,22,26)
InChIKey WUUOJKMRUCYVFQ-UHFFFAOYSA-N
Mol Weight 397.44 g/mol
Molecular Formula C20H23N5O4
Exact Mass 397.175004 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HPMRxDQKRj4
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 397.175004237 u
Formula C20H23N5O4
InChI InChI=1S/C20H23N5O4/c1-27-15-7-5-14(6-8-15)25-19(21)18(23-24-25)20(26)22-11-10-13-4-9-16(28-2)17(12-13)29-3/h4-9,12H,10-11,21H2,1-3H3,(H,22,26)
InChIKey WUUOJKMRUCYVFQ-UHFFFAOYSA-N
Molecular Weight 397.435 g/mol
SMILES N(C(C=1N=NN(C1N)C1=CC=C(C=C1)OC)=O)CCC1=CC(OC)=C(C=C1)OC