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1,4-BIS-[DI-(BENZYLOXYCARBONYL)-METHYLENE]-CYCLOHEXANE

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1,4-BIS-[DI-(BENZYLOXYCARBONYL)-METHYLENE]-CYCLOHEXANE
SpectraBase Compound ID 9Jpoq9ZYffH
InChI InChI=1S/C40H36O8/c41-37(45-25-29-13-5-1-6-14-29)35(38(42)46-26-30-15-7-2-8-16-30)33-21-23-34(24-22-33)36(39(43)47-27-31-17-9-3-10-18-31)40(44)48-28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKey PECFBMDDBHQVHH-UHFFFAOYSA-N
Mol Weight 644.7 g/mol
Molecular Formula C40H36O8
Exact Mass 644.241018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AnFXfxOO6Hh
Name 1,4-BIS-[DI-(BENZYLOXYCARBONYL)-METHYLENE]-CYCLOHEXANE
Compound Number 2D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H36O8
InChI InChI=1S/C40H36O8/c41-37(45-25-29-13-5-1-6-14-29)35(38(42)46-26-30-15-7-2-8-16-30)33-21-23-34(24-22-33)36(39(43)47-27-31-17-9-3-10-18-31)40(44)48-28-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKey PECFBMDDBHQVHH-UHFFFAOYSA-N
Literature Reference Author S.NOMURA,T.ITOH,H.NAKASHO,T.UNO,M.KUBO,K.SADA,K.INOUE,M.MIYA TA
Literature Reference Citation J.AM.CHEM.SOC.,126,2035(2004)
Literature Reference DOI 10.1021/ja0386086
Molecular Weight 644.721 g/mol
Solvent CDCl3
Source File Reference UWVN31812