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benzoic acid, 4-[3-mercapto-5-(3-methyl-2-thienyl)-4H-1,2,4-triazol-4-yl]-
SpectraBase Compound ID Kjw6x87IIvk
InChI InChI=1S/C14H11N3O2S2/c1-8-6-7-21-11(8)12-15-16-14(20)17(12)10-4-2-9(3-5-10)13(18)19/h2-7H,1H3,(H,16,20)(H,18,19)
InChIKey ULYPDMKHELDMMW-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 Ankhryg53t
Name benzoic acid, 4-[3-mercapto-5-(3-methyl-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/C14H11N3O2S2/c1-8-6-7-21-11(8)12-15-16-14(20)17(12)10-4-2-9(3-5-10)13(18)19/h2-7H,1H3,(H,16,20)(H,18,19)
InChIKey ULYPDMKHELDMMW-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6615
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/18277065; Labnumber: OBK-8490