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3-Benzoylmethylene-4,5-dimethyl-3H-1,2-dithiole

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3-Benzoylmethylene-4,5-dimethyl-3H-1,2-dithiole
SpectraBase Compound ID 3I15Q5gb9TG
InChI InChI=1S/C13H12OS2/c1-9-10(2)15-16-13(9)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3/b13-8-
InChIKey ARXINBNCMWDTHA-JYRVWZFOSA-N
Mol Weight 248.36 g/mol
Molecular Formula C13H12OS2
Exact Mass 248.032957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KR5KMPW3QBY
Name 3-Benzoylmethylene-4,5-dimethyl-3H-1,2-dithiole
CAS Registry Number 38489-99-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12OS2
InChI InChI=1S/C13H12OS2/c1-9-10(2)15-16-13(9)8-12(14)11-6-4-3-5-7-11/h3-8H,1-2H3/b13-8-
InChIKey ARXINBNCMWDTHA-JYRVWZFOSA-N
Instrument Name Bruker HX-270
Literature Reference C.T. Pedersen, E.G. Frandsen, Org. Magn. Resonance 9, 546 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3