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1H-2-Benzothiopyran-4(3H)-one, 3-[bis(methylthio)methylene]-

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1H-2-Benzothiopyran-4(3H)-one, 3-[bis(methylthio)methylene]-
SpectraBase Compound ID E7CaNNnUf7C
InChI InChI=1S/C12H12OS3/c1-14-12(15-2)11-10(13)9-6-4-3-5-8(9)7-16-11/h3-6H,7H2,1-2H3
InChIKey VVTRLYPWZVTDPE-UHFFFAOYSA-N
Mol Weight 268.41 g/mol
Molecular Formula C12H12OS3
Exact Mass 268.005029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1dTRTo5Jmi
Name 3-Dimethylthiomethylidene-2-benzothiopyran-4-one
CAS Registry Number 72554-23-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H12OS3
InChI InChI=1S/C12H12OS3/c1-14-12(15-2)11-10(13)9-6-4-3-5-8(9)7-16-11/h3-6H,7H2,1-2H3
InChIKey VVTRLYPWZVTDPE-UHFFFAOYSA-N
Literature Reference O.H. Johansen, K. Undheim, Acta Chem. Scand. B33, 460 (1979).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3