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5-DIMETHYLAMINO-5-[(1',4'-DIOXASPIRO-[4.4]-NON-6'-YL)-METHYL]-3-ETHOXY-1,2-DIPHENYL-1,3-CYCLOPENTADIENE;MAJOR-ISOMER
SpectraBase Compound ID Ks7UzIuN8bq
InChI InChI=1S/C29H35NO3/c1-4-31-25-21-28(30(2)3,20-24-16-11-17-29(24)32-18-19-33-29)27(23-14-9-6-10-15-23)26(25)22-12-7-5-8-13-22/h5-10,12-15,21,24H,4,11,16-20H2,1-3H3
InChIKey ZURSNIAKGYMILR-UHFFFAOYSA-N
Mol Weight 445.6 g/mol
Molecular Formula C29H35NO3
Exact Mass 445.261694 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXRLUt49YV9
Name 5-DIMETHYLAMINO-5-[(1',4'-DIOXASPIRO-[4.4]-NON-6'-YL)-METHYL]-3-ETHOXY-1,2-DIPHENYL-1,3-CYCLOPENTADIENE;MAJOR-ISOMER
Compound Number 6AA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H35NO3
InChI InChI=1S/C29H35NO3/c1-4-31-25-21-28(30(2)3,20-24-16-11-17-29(24)32-18-19-33-29)27(23-14-9-6-10-15-23)26(25)22-12-7-5-8-13-22/h5-10,12-15,21,24H,4,11,16-20H2,1-3H3
InChIKey ZURSNIAKGYMILR-UHFFFAOYSA-N
Literature Reference Author Y.T.WU,D.VIDOVIC,J.MAGULL,A.D.MEIJERE
Literature Reference Citation EUR.J.ORG.CHEM.,1625(2005)
Literature Reference DOI 10.1002/ejoc.200400858
Molecular Weight 445.602 g/mol
Sample ID 31022
Solvent CDCl3