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1H-1,2,3-triazole-4-carboxamide, 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-thienyl)ethyl]-
SpectraBase Compound ID CnBvawCs8pn
InChI InChI=1S/C17H18N4O2S/c1-12-16(17(22)18-10-9-15-4-3-11-24-15)19-20-21(12)13-5-7-14(23-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,22)
InChIKey LXWKTBLKAKMREM-UHFFFAOYSA-N
Mol Weight 342.42 g/mol
Molecular Formula C17H18N4O2S
Exact Mass 342.115047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G844Px34BnZ
Name 1H-1,2,3-Triazole-4-carboxamide, 1-(4-methoxyphenyl)-5-methyl-N-[2-(2-thienyl)ethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.115047008 u
Formula C17H18N4O2S
InChI InChI=1S/C17H18N4O2S/c1-12-16(17(22)18-10-9-15-4-3-11-24-15)19-20-21(12)13-5-7-14(23-2)8-6-13/h3-8,11H,9-10H2,1-2H3,(H,18,22)
InChIKey LXWKTBLKAKMREM-UHFFFAOYSA-N
Molecular Weight 342.417 g/mol
SMILES N(C(C=1N=NN(C1C)C1=CC=C(C=C1)OC)=O)CCC=1SC=CC1