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1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-
SpectraBase Compound ID JLPDNdcU6rQ
InChI InChI=1S/C17H16FN5O2/c1-25-14-5-3-2-4-11(14)10-20-17(24)15-16(19)23(22-21-15)13-8-6-12(18)7-9-13/h2-9H,10,19H2,1H3,(H,20,24)
InChIKey RVLADODDYBAKEJ-UHFFFAOYSA-N
Mol Weight 341.35 g/mol
Molecular Formula C17H16FN5O2
Exact Mass 341.128803 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HJjifkJLkRP
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.128802936 u
Formula C17H16FN5O2
InChI InChI=1S/C17H16FN5O2/c1-25-14-5-3-2-4-11(14)10-20-17(24)15-16(19)23(22-21-15)13-8-6-12(18)7-9-13/h2-9H,10,19H2,1H3,(H,20,24)
InChIKey RVLADODDYBAKEJ-UHFFFAOYSA-N
Molecular Weight 341.346 g/mol
SMILES N(C(C=1N=NN(C1N)C=1C=CC(=CC1)F)=O)CC=1C(OC)=CC=CC1