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2E,6E-DIPHENYL-3A,5A-DIMETHYL-4E-ETHYLTHIACYCLOHEXANE
SpectraBase Compound ID DrtcQ61a967
InChI InChI=1S/C21H26S/c1-4-19-15(2)20(17-11-7-5-8-12-17)22-21(16(19)3)18-13-9-6-10-14-18/h5-16,19-21H,4H2,1-3H3/t15-,16+,19+,20+,21-
InChIKey FHPNVZPYWUPQAG-COBFAUOTSA-N
Mol Weight 310.5 g/mol
Molecular Formula C21H26S
Exact Mass 310.175522 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6bForYSpFWU
Name 2E,6E-DIPHENYL-3A,5A-DIMETHYL-4E-ETHYLTHIACYCLOHEXANE
Comments S
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26S
InChI InChI=1S/C21H26S/c1-4-19-15(2)20(17-11-7-5-8-12-17)22-21(16(19)3)18-13-9-6-10-14-18/h5-16,19-21H,4H2,1-3H3/t15-,16+,19+,20+,21-
InChIKey FHPNVZPYWUPQAG-COBFAUOTSA-N
Instrument Name Varian FT-80
Literature Reference N.I.KOZHEVNIKOVA, N.T.KOMYAGIN, A.I.YANOVSKY, N.N.SOROKIN, YU.T.STRUCHKOV,V.G.KHARCHENKO (1991) Khim.Heteroc.Soed.(Russ. Lang.): N2, 181-186.
NMR Standard HMDS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d