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8-MERCAPTO-4,4-DIMETHYL-5-THIAOCTAN-2-ON

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8-MERCAPTO-4,4-DIMETHYL-5-THIAOCTAN-2-ON
SpectraBase Compound ID 45CsnjhZ5Xk
InChI InChI=1S/C9H18OS2/c1-8(10)7-9(2,3)12-6-4-5-11/h11H,4-7H2,1-3H3
InChIKey KGEGBFZZOYPSIG-UHFFFAOYSA-N
Mol Weight 206.36 g/mol
Molecular Formula C9H18OS2
Exact Mass 206.079908 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID fMVHFAO5Q3
Name 8-Mercapto-4,4-dimethyl-5-thia-2-octanone
CAS Registry Number 65447-89-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H18OS2
InChI InChI=1S/C9H18OS2/c1-8(10)7-9(2,3)12-6-4-5-11/h11H,4-7H2,1-3H3
InChIKey KGEGBFZZOYPSIG-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference A. Hoppmann, P. Weyerstahl, Liebigs Ann. Chem. 1547 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3