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(4E)-9-OXO-2,2,7,12,12-PENTA-(METHOXYCARBONYL)-[13]-PARACYCLOPHAN-4-ENE
SpectraBase Compound ID GFyDs9OXlRH
InChI InChI=1S/C29H36O11/c1-36-23(31)21-8-6-7-14-28(24(32)37-2,25(33)38-3)17-19-9-11-20(12-10-19)18-29(26(34)39-4,27(35)40-5)15-13-22(30)16-21/h6-7,9-12,21H,8,13-18H2,1-5H3/b7-6-
InChIKey XJBXFSYTXQJEHD-SREVYHEPSA-N
Mol Weight 560.6 g/mol
Molecular Formula C29H36O11
Exact Mass 560.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eg6TeJku0dy
Name (4E)-9-OXO-2,2,7,12,12-PENTA-(METHOXYCARBONYL)-[13]-PARACYCLOPHAN-4-ENE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H36O11
InChI InChI=1S/C29H36O11/c1-36-23(31)21-8-6-7-14-28(24(32)37-2,25(33)38-3)17-19-9-11-20(12-10-19)18-29(26(34)39-4,27(35)40-5)15-13-22(30)16-21/h6-7,9-12,21H,8,13-18H2,1-5H3/b7-6-
InChIKey XJBXFSYTXQJEHD-SREVYHEPSA-N
Literature Reference Author A.ULLMANN,M.GRUNER,H.U.REISSIG
Literature Reference Citation CHEM.EUR.J.,5,187(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990104)5:1<187::aid-chem187>3.3.co;2-4
Molecular Weight 560.598 g/mol
Solvent CDCl3
Source File Reference UWRU9582