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1-Thia-2E,6E-diphenyl-3E-methyl-4-cyclohexanone

View entire compound with spectra: 2 NMR

1-Thia-2E,6E-diphenyl-3E-methyl-4-cyclohexanone
SpectraBase Compound ID AzwREudZj8p
InChI InChI=1S/C18H18OS/c1-13-16(19)12-17(14-8-4-2-5-9-14)20-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3/t13-,17+,18+/m0/s1
InChIKey AWPQVIKLETXMPM-MORSLUCNSA-N
Mol Weight 282.4 g/mol
Molecular Formula C18H18OS
Exact Mass 282.107836 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECQHjVPxfnE
Name 1-Thia-2a,6E-diphenyl-3E-methyl-4-cyclohexanone
CAS Registry Number 68296-29-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H18OS
InChI InChI=1S/C18H18OS/c1-13-16(19)12-17(14-8-4-2-5-9-14)20-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3/t13-,17+,18+/m0/s1
InChIKey AWPQVIKLETXMPM-MORSLUCNSA-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