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ethanone, 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]-
SpectraBase Compound ID Gi2O4O1G00q
InChI InChI=1S/C9H8N4OS/c1-6(14)7-3-2-4-8(5-7)13-9(15)10-11-12-13/h2-5H,1H3,(H,10,12,15)
InChIKey VAGPZPLLQLBYGH-UHFFFAOYSA-N
Mol Weight 220.25 g/mol
Molecular Formula C9H8N4OS
Exact Mass 220.041882 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Az7hOFefbCD
Name ethanone, 1-[3-(5-mercapto-1H-tetrazol-1-yl)phenyl]-
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/C9H8N4OS/c1-6(14)7-3-2-4-8(5-7)13-9(15)10-11-12-13/h2-5H,1H3,(H,10,12,15)
InChIKey VAGPZPLLQLBYGH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5930
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/18247034; Labnumber: OBK-8397