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2-(4-MERCAPTO-1,1-DIMETHYL-2-THIABUTYL)-5-METHYLCYCLOHEXAN-1-ON

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2-(4-MERCAPTO-1,1-DIMETHYL-2-THIABUTYL)-5-METHYLCYCLOHEXAN-1-ON
SpectraBase Compound ID 7L86eu1Dhqn
InChI InChI=1S/C12H22OS2/c1-9-4-5-10(11(13)8-9)12(2,3)15-7-6-14/h9-10,14H,4-8H2,1-3H3
InChIKey NXHSQEZEDKHSEZ-UHFFFAOYSA-N
Mol Weight 246.43 g/mol
Molecular Formula C12H22OS2
Exact Mass 246.111208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6pbPAN423dA
Name 2-{1-[(2-MERCAPTOETHYL)THIO]-1-METHYLETHYL}-5-METHYLCYCLOHEXANONE
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 C12H22OS2
InChI InChI=1S/C12H22OS2/c1-9-4-5-10(11(13)8-9)12(2,3)15-7-6-14/h9-10,14H,4-8H2,1-3H3
InChIKey NXHSQEZEDKHSEZ-UHFFFAOYSA-N
Molecular Weight 246.44
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Varian CFT-20
Synonyms CYCLOHEXANONE, 2-/1-//2-MERCAPTOETHYL/THIO/-1-METHYLETHYL/-5-METHYL-,