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1-Methyl-3-methylthio-6-phenyl-7H-1,2,4-triazolo(3,4-B)-1,3,4-thiadiazin-3-ium cation
SpectraBase Compound ID JZTMPnnDFLg
InChI InChI=1S/C12H13N4S2/c1-15-12-16(11(14-15)17-2)13-10(8-18-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q+1
InChIKey VOSWJOFPPPDWNL-UHFFFAOYSA-N
Mol Weight 277.38 g/mol
Molecular Formula C12H13N4S2
Exact Mass 277.058164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JcIXSkGUpy9
Name 1-Methyl-3-methylthio-6-phenyl-7H-1,2,4-triazolo(3,4-B)-1,3,4-thiadiazin-3-ium cation
CAS Registry Number 130365-18-3
Comments bromide
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H13N4S2
InChI InChI=1S/C12H13N4S2/c1-15-12-16(11(14-15)17-2)13-10(8-18-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3/q+1
InChIKey VOSWJOFPPPDWNL-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference M. Alajarin, P. Molina, J.P. De Vega, Chemica Scripta 25, 230 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CF3COOH