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4-METHOXYCARBONYL-3-METHYL-1,2,3-THIADIAZOLIUM-5-PHENYL-AZOMETHYLIDE

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4-METHOXYCARBONYL-3-METHYL-1,2,3-THIADIAZOLIUM-5-PHENYL-AZOMETHYLIDE
SpectraBase Compound ID 6X5gZA431Sm
InChI InChI=1S/C12H12N4O2S/c1-16-11(12(17)18-2)10(19-15-16)8-13-14-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey RZZNRBXYZQSNSO-UHFFFAOYSA-N
Mol Weight 276.31 g/mol
Molecular Formula C12H12N4O2S
Exact Mass 276.068097 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiCpTeDIY0g
Name 4-METHOXYCARBONYL-3-METHYL-1,2,3-THIADIAZOLIUM-5-PHENYL-AZOMETHYLIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N4O2S
InChI InChI=1S/C12H12N4O2S/c1-16-11(12(17)18-2)10(19-15-16)8-13-14-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey RZZNRBXYZQSNSO-UHFFFAOYSA-N
Literature Reference Author G.LABBE,A.FREDERIX,S.TOPPET,J.P.DECLERCQ
Literature Reference Citation J.HETCYCL.CHEM.,28,477(1991)
Literature Reference DOI 10.1002/jhet.5570280252
Molecular Weight 276.313 g/mol
Solvent CDCl3