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benzoic acid, 3-[[3-mercapto-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]methyl]-
SpectraBase Compound ID E3e6ar26LNT
InChI InChI=1S/C14H11N3O2S2/c18-13(19)10-4-1-3-9(7-10)8-17-12(15-16-14(17)20)11-5-2-6-21-11/h1-7H,8H2,(H,16,20)(H,18,19)
InChIKey KMDWCHYHWDINQC-UHFFFAOYSA-N
Mol Weight 317.38 g/mol
Molecular Formula C14H11N3O2S2
Exact Mass 317.029269 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7UPecYQgWAU
Name benzoic acid, 3-[[3-mercapto-5-(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/C14H11N3O2S2/c18-13(19)10-4-1-3-9(7-10)8-17-12(15-16-14(17)20)11-5-2-6-21-11/h1-7H,8H2,(H,16,20)(H,18,19)
InChIKey KMDWCHYHWDINQC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6964
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/18277180; Labnumber: OBK-8544