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1-Thia-2,2-dimethyl-4-cyclohexanone

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1-Thia-2,2-dimethyl-4-cyclohexanone
SpectraBase Compound ID Bw3TsRkss3d
InChI InChI=1S/C7H12OS/c1-7(2)5-6(8)3-4-9-7/h3-5H2,1-2H3
InChIKey QAABZONQGGPNCG-UHFFFAOYSA-N
Mol Weight 144.23 g/mol
Molecular Formula C7H12OS
Exact Mass 144.060886 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1yTNtaYaBrl
Name 1-Thia-2,2-dimethyl-4-cyclohexanone
CAS Registry Number 2323-13-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12OS
InChI InChI=1S/C7H12OS/c1-7(2)5-6(8)3-4-9-7/h3-5H2,1-2H3
InChIKey QAABZONQGGPNCG-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference K. Ramalingam, K.D. Berlin, J. Org. Chem. 44, 471 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3