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Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-ylthiomethyl)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Benzoic acid, 4-(5-amino-1,3,4-thiadiazol-2-ylthiomethyl)-
SpectraBase Compound ID 8kyFcMT0bmV
InChI InChI=1S/C10H9N3O2S2/c11-9-12-13-10(17-9)16-5-6-1-3-7(4-2-6)8(14)15/h1-4H,5H2,(H2,11,12)(H,14,15)
InChIKey QJKNFSPAYVEYDX-UHFFFAOYSA-N
Mol Weight 267.32 g/mol
Molecular Formula C10H9N3O2S2
Exact Mass 267.013619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2iMRi4vb3MS
Name benzoic acid, 4-[[(5-amino-1,3,4-thiadiazol-2-yl)thio]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/C10H9N3O2S2/c11-9-12-13-10(17-9)16-5-6-1-3-7(4-2-6)8(14)15/h1-4H,5H2,(H2,11,12)(H,14,15)
InChIKey QJKNFSPAYVEYDX-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_7557
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: ZERO/001517; IOH_ID: IOH-014561