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benzoic acid, 4-[3-(2-furanyl)-5-mercapto-4H-1,2,4-triazol-4-yl]-
SpectraBase Compound ID Lt2R8VnO7i0
InChI InChI=1S/C13H9N3O3S/c17-12(18)8-3-5-9(6-4-8)16-11(14-15-13(16)20)10-2-1-7-19-10/h1-7H,(H,15,20)(H,17,18)
InChIKey HGWDCPVAVRZLCX-UHFFFAOYSA-N
Mol Weight 287.29 g/mol
Molecular Formula C13H9N3O3S
Exact Mass 287.036462 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FHod2cB7bxX
Name benzoic acid, 4-[3-(2-furanyl)-5-mercapto-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/C13H9N3O3S/c17-12(18)8-3-5-9(6-4-8)16-11(14-15-13(16)20)10-2-1-7-19-10/h1-7H,(H,15,20)(H,17,18)
InChIKey HGWDCPVAVRZLCX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_340
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/11222079; Labnumber: OBK-0004820