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benzoic acid, 2-chloro-5-[3-mercapto-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]-
SpectraBase Compound ID HxexT9nhBO6
InChI InChI=1S/C13H8ClN3O2S2/c14-9-4-3-7(6-8(9)12(18)19)17-11(15-16-13(17)20)10-2-1-5-21-10/h1-6H,(H,16,20)(H,18,19)
InChIKey AUGWILIBUFHYRM-UHFFFAOYSA-N
Mol Weight 337.8 g/mol
Molecular Formula C13H8ClN3O2S2
Exact Mass 336.974647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JuAb4VfGblw
Name benzoic acid, 2-chloro-5-[3-mercapto-5-(2-thienyl)-4H-1,2,4-triazol-4-yl]-
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/C13H8ClN3O2S2/c14-9-4-3-7(6-8(9)12(18)19)17-11(15-16-13(17)20)10-2-1-5-21-10/h1-6H,(H,16,20)(H,18,19)
InChIKey AUGWILIBUFHYRM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_291
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: F03895; Labnumber: NNOBK-8293
Temperature 308 °C