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benzoic acid, 4-(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)-

View entire compound with spectra: 1 NMR

benzoic acid, 4-(1,5-dihydro-3-methyl-5-thioxo-4H-1,2,4-triazol-4-yl)-
SpectraBase Compound ID LW4t9qUqie5
InChI InChI=1S/C10H9N3O2S/c1-6-11-12-10(16)13(6)8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,12,16)(H,14,15)
InChIKey BIFVGGXTURULTA-UHFFFAOYSA-N
Mol Weight 235.26 g/mol
Molecular Formula C10H9N3O2S
Exact Mass 235.041548 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LCiX6QEG2Vk
Name benzoic acid, 4-(1,5-dihydro-3-methyl-5-thioxo-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/C10H9N3O2S/c1-6-11-12-10(16)13(6)8-4-2-7(3-5-8)9(14)15/h2-5H,1H3,(H,12,16)(H,14,15)
InChIKey BIFVGGXTURULTA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7968
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/11211296; Labnumber: OBK-0004160