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3-Acetylmethylene-5-methyl-3H-1,2-dithiole

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3-Acetylmethylene-5-methyl-3H-1,2-dithiole
SpectraBase Compound ID Am4ifCr2MFA
InChI InChI=1S/C7H8OS2/c1-5(8)3-7-4-6(2)9-10-7/h3-4H,1-2H3/b7-3-
InChIKey YAIGSGPVNPIUNY-CLTKARDFSA-N
Mol Weight 172.26 g/mol
Molecular Formula C7H8OS2
Exact Mass 172.001657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8DBaiQYqFg
Name 3-Acetylmethylene-5-methyl-3H-1,2-dithiole
CAS Registry Number 1005-55-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H8OS2
InChI InChI=1S/C7H8OS2/c1-5(8)3-7-4-6(2)9-10-7/h3-4H,1-2H3/b7-3-
InChIKey YAIGSGPVNPIUNY-CLTKARDFSA-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