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benzoic acid, 3-[[3-mercapto-5-(3-methyl-2-thienyl)-4H-1,2,4-triazol-4-yl]methyl]-
SpectraBase Compound ID C64zyX4xohB
InChI InChI=1S/C15H13N3O2S2/c1-9-5-6-22-12(9)13-16-17-15(21)18(13)8-10-3-2-4-11(7-10)14(19)20/h2-7H,8H2,1H3,(H,17,21)(H,19,20)
InChIKey IDXMJFUWNWPZEX-UHFFFAOYSA-N
Mol Weight 331.41 g/mol
Molecular Formula C15H13N3O2S2
Exact Mass 331.044919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KmhV1amUj7c
Name benzoic acid, 3-[[3-mercapto-5-(3-methyl-2-thienyl)-4H-1,2,4-triazol-4-yl]methyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C15H13N3O2S2/c1-9-5-6-22-12(9)13-16-17-15(21)18(13)8-10-3-2-4-11(7-10)14(19)20/h2-7H,8H2,1H3,(H,17,21)(H,19,20)
InChIKey IDXMJFUWNWPZEX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5926
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/18247030; Labnumber: OBK-8383