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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 KDKNr3gZtGm
Name 4-(HYDROXYMETHYL)-1-PHENYL-DELTA(2)-1,2,3,4-TETRAZOLINO-5-THIONE
CAS Registry Number 32550-63-3
Compound Number 23B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author J.R.BARTELS-KEITH,M.T.BURGESS,J.M.STEVENSON
Literature Reference Citation J.ORG.CHEM.,42,3725(1977)
Literature Reference DOI 10.1021/jo00443a020
Molecular Weight 208.238 g/mol
Solvent DMSO-D6
Source File Reference UWCS13368