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2-(5-MERCAPTO-1,1-DIMETHYL-2-THIAPENTYL)-5-METHYLCYCLOHEXAN-1-ON

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2-(5-MERCAPTO-1,1-DIMETHYL-2-THIAPENTYL)-5-METHYLCYCLOHEXAN-1-ON
SpectraBase Compound ID EXFLboF6e2c
InChI InChI=1S/C13H24OS2/c1-10-5-6-11(12(14)9-10)13(2,3)16-8-4-7-15/h10-11,15H,4-9H2,1-3H3
InChIKey WUXACEDSUFDNSZ-UHFFFAOYSA-N
Mol Weight 260.45 g/mol
Molecular Formula C13H24OS2
Exact Mass 260.126858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8a219W8jMGJ
Name 2-(1,1-Dimethyl-5-mercapto-2-thiapentyl)-5-methyl-1-cyclohexanone
CAS Registry Number 65448-04-6
Comments *3S,6S
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H24OS2
InChI InChI=1S/C13H24OS2/c1-10-5-6-11(12(14)9-10)13(2,3)16-8-4-7-15/h10-11,15H,4-9H2,1-3H3
InChIKey WUXACEDSUFDNSZ-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