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1H-1,2,3-triazole-4-carboxamide, 5-amino-N-(4-fluorophenyl)-1-(2-methylphenyl)-
SpectraBase Compound ID 6qWthCgrOrJ
InChI InChI=1S/C16H14FN5O/c1-10-4-2-3-5-13(10)22-15(18)14(20-21-22)16(23)19-12-8-6-11(17)7-9-12/h2-9H,18H2,1H3,(H,19,23)
InChIKey OMHGVJAMLQUVBQ-UHFFFAOYSA-N
Mol Weight 311.32 g/mol
Molecular Formula C16H14FN5O
Exact Mass 311.118238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 93izwR57PPp
Name 1H-1,2,3-Triazole-4-carboxamide, 5-amino-N-(4-fluorophenyl)-1-(2-methylphenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.118238253 u
Formula C16H14FN5O
InChI InChI=1S/C16H14FN5O/c1-10-4-2-3-5-13(10)22-15(18)14(20-21-22)16(23)19-12-8-6-11(17)7-9-12/h2-9H,18H2,1H3,(H,19,23)
InChIKey OMHGVJAMLQUVBQ-UHFFFAOYSA-N
Molecular Weight 311.320 g/mol
SMILES N(C(C=1N=NN(C1N)C=1C(C)=CC=CC1)=O)C=1C=CC(=CC1)F