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5-mercapto-2-methyl-3-phenyl-1,3,4-thiadiazolium hydroxide, inner salt

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5-mercapto-2-methyl-3-phenyl-1,3,4-thiadiazolium hydroxide, inner salt
SpectraBase Compound ID CX3JSn8WiJc
InChI InChI=1S/C9H8N2S2/c1-7-11(10-9(12)13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey NEMRWKRNANJMRK-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C9H8N2S2
Exact Mass 208.012891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DOl29boljIf
Name NEMRWKRNANJMRK-UHFFFAOYSA-N
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8N2S2
InChI InChI=1S/C9H8N2S2/c1-7-11(10-9(12)13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey NEMRWKRNANJMRK-UHFFFAOYSA-N
Literature Reference Author W.BOCIAN,J.JAZWINSKI,O.STASZEWSKA,J.W.WIENCH,L.STEFANIAK,G.A .WEBB
Literature Reference Citation CHEM.HET.COMP.,32,1358(1996)
Literature Reference DOI 10.1007/bf01169966
Molecular Weight 208.296 g/mol
Solvent DMSO-D6
Source File Reference UWMZ15331