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ALL-CIS-1,2,3,4,5-PENTAKIS-(4-METHYLPHENYL)-CYCLOPENTENE
SpectraBase Compound ID 9mDUt2lxVV0
InChI InChI=1S/C40H38/c1-26-6-16-31(17-7-26)36-37(32-18-8-27(2)9-19-32)39(34-22-12-29(4)13-23-34)40(35-24-14-30(5)15-25-35)38(36)33-20-10-28(3)11-21-33/h6-25,36-38H,1-5H3/t36-,37+,38-
InChIKey QNLRRKZNHATZHR-UESQNQCPSA-N
Mol Weight 518.7 g/mol
Molecular Formula C40H38
Exact Mass 518.297351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KAAook7nKVu
Name ALL-CIS-1,2,3,4,5-PENTAKIS-(4-METHYLPHENYL)-CYCLOPENTENE
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H38
InChI InChI=1S/C40H38/c1-26-6-16-31(17-7-26)36-37(32-18-8-27(2)9-19-32)39(34-22-12-29(4)13-23-34)40(35-24-14-30(5)15-25-35)38(36)33-20-10-28(3)11-21-33/h6-25,36-38H,1-5H3/t36-,37+,38-
InChIKey QNLRRKZNHATZHR-UESQNQCPSA-N
Literature Reference Author M.KANTHAK,E.MUTH,G.DYKER
Literature Reference Citation EUR.J.ORG.CHEM.,2010,6084(2010)
Literature Reference DOI 10.1002/ejoc.201000821
Molecular Weight 518.742 g/mol
Solvent CDCl3
Source File Reference UWLU85715