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3-ETHYL-1-PHENYL-1,2,3,4-TETRAZOLIUM-5-THIOLATE
SpectraBase Compound ID Dx5Ey78iJ16
InChI InChI=1S/C9H10N4S/c1-2-12-10-9(14)13(11-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey WGCVMJPKUFEOPB-UHFFFAOYSA-N
Mol Weight 206.27 g/mol
Molecular Formula C9H10N4S
Exact Mass 206.062618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LA6LmElzRCn
Name 3-ETHYL-1-PHENYL-1,2,3,4-TETRAZOLIUM-5-THIOLATE
CAS Registry Number 62681-14-5
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10N4S
InChI InChI=1S/C9H10N4S/c1-2-12-10-9(14)13(11-12)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey WGCVMJPKUFEOPB-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 206.265 g/mol
Solvent DMSO-D6
Source File Reference UWCS13375