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1-Thia-2,2-dimethyl-6E-phenyl-4-cyclohexanone

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1-Thia-2,2-dimethyl-6E-phenyl-4-cyclohexanone
SpectraBase Compound ID EPGSffQgZks
InChI InChI=1S/C13H16OS/c1-13(2)9-11(14)8-12(15-13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKey INEXSFKPSHXRHP-GFCCVEGCSA-N
Mol Weight 220.33 g/mol
Molecular Formula C13H16OS
Exact Mass 220.092186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHbluFajKoo
Name 1-Thia-2,2-dimethyl-6E-phenyl-4-cyclohexanone
CAS Registry Number 68226-11-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H16OS
InChI InChI=1S/C13H16OS/c1-13(2)9-11(14)8-12(15-13)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3/t12-/m1/s1
InChIKey INEXSFKPSHXRHP-GFCCVEGCSA-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