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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 6oYnMIx0J3Y
Name 4-[(3-MERCAPTOPROPYL)THIO]-4-METHYL-2-PENTANONE
Source of Sample A. Hoppmann, P. Weyerstahl Liebigs Ann. Chem. 1977, 1547
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. 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
Molecular Weight 206.37
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms 2-PENTANONE, 4-//3-MERCAPTOPROPYL/THIO/-4-METHYL-,