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4-(HYDROXYMETHYL)-1-PHENYL-DELTA(2)-1,2,3,4-TETRAZOLINO-5-THIONE

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4-(HYDROXYMETHYL)-1-PHENYL-DELTA(2)-1,2,3,4-TETRAZOLINO-5-THIONE
SpectraBase Compound ID E15BG76ZUZB
InChI InChI=1S/C8H8N4OS/c13-6-11-8(14)12(10-9-11)7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKey BTUJSUDWUWIQPV-UHFFFAOYSA-N
Mol Weight 208.24 g/mol
Molecular Formula C8H8N4OS
Exact Mass 208.041882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Il4F7cLYZ5o
Name 1-Hydroxymethyl-4-phenyl-2-tetrazolin-5-thione
CAS Registry Number 32550-63-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C8H8N4OS
InChI InChI=1S/C8H8N4OS/c13-6-11-8(14)12(10-9-11)7-4-2-1-3-5-7/h1-5,13H,6H2
InChIKey BTUJSUDWUWIQPV-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference J.R. Bartels-Keith, M.T. Burgess, J. Org. Chem. 42, 3725 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6