For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

4-[2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl) acetylamino]benzoic acid, methyl ester

View entire compound with spectra: 1 NMR

4-[2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl) acetylamino]benzoic acid, methyl ester
SpectraBase Compound ID 12SwyqopyO3
InChI InChI=1S/C13H14N4O3S/c1-17-8-14-16-13(17)21-7-11(18)15-10-5-3-9(4-6-10)12(19)20-2/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKey XETFVSUSTZSHAE-UHFFFAOYSA-N
Mol Weight 306.34 g/mol
Molecular Formula C13H14N4O3S
Exact Mass 306.078661 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ih0rhneba41
Name 4-[2-(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl) acetylamino]benzoic acid, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.078661498 u
Formula C13H14N4O3S
InChI InChI=1S/C13H14N4O3S/c1-17-8-14-16-13(17)21-7-11(18)15-10-5-3-9(4-6-10)12(19)20-2/h3-6,8H,7H2,1-2H3,(H,15,18)
InChIKey XETFVSUSTZSHAE-UHFFFAOYSA-N
Molecular Weight 306.340 g/mol
SMILES C1(=CC=C(C=C1)C(OC)=O)NC(CSC=1N(C=NN1)C)=O