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5,7-Bis(methylthio)-2,1,3-cyclohepta(C)thiadiazol-6-one
SpectraBase Compound ID A80RXBjjp47
InChI InChI=1S/C9H8N2OS3/c1-13-7-3-5-6(11-15-10-5)4-8(14-2)9(7)12/h3-4H,1-2H3
InChIKey HDSNCJWFXFSBJR-UHFFFAOYSA-N
Mol Weight 256.36 g/mol
Molecular Formula C9H8N2OS3
Exact Mass 255.979876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CDNyIMKjH9Z
Name 5,7-Bis(methylthio)-2,1,3-cyclohepta(C)thiadiazol-6-one
CAS Registry Number 85122-43-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8N2OS3
InChI InChI=1S/C9H8N2OS3/c1-13-7-3-5-6(11-15-10-5)4-8(14-2)9(7)12/h3-4H,1-2H3
InChIKey HDSNCJWFXFSBJR-UHFFFAOYSA-N
Literature Reference G. Seitz, H.S. The, Chemiker-Zeitung 106, 411 (1982).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3