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TRANS-2-METHYL-6-[(OCTYLTHIO)-METHYL]-4-[(OCTYLTHIO)-METHYLIDENE]-CYCLOHEXA-2,5-DIEN-1-ONE
SpectraBase Compound ID 1Rhv0kFs7q2
InChI InChI=1S/C25H42OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-20H,4-17,21H2,1-3H3/b23-20+
InChIKey IRTKAGAUUKZQFE-BSYVCWPDSA-N
Mol Weight 422.7 g/mol
Molecular Formula C25H42OS2
Exact Mass 422.267708 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8io3wOJXOve
Name TRANS-2-METHYL-6-[(OCTYLTHIO)-METHYL]-4-[(OCTYLTHIO)-METHYLIDENE]-CYCLOHEXA-2,5-DIEN-1-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42OS2
InChI InChI=1S/C25H42OS2/c1-4-6-8-10-12-14-16-27-20-23-18-22(3)25(26)24(19-23)21-28-17-15-13-11-9-7-5-2/h18-20H,4-17,21H2,1-3H3/b23-20+
InChIKey IRTKAGAUUKZQFE-BSYVCWPDSA-N
Literature Reference Author H.MEIER,H.KUENZI,H.FUHRER,G.RIST
Literature Reference Citation HELV.CHIM.ACTA,77,655(1994)
Literature Reference DOI 10.1002/hlca.19940770308
Molecular Weight 422.728 g/mol
Solvent CDCl3
Source File Reference UWVP4438