For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2Z,6E)-2,6-bis(3-ethoxy-4-isopropoxybenzylidene)cyclohexanone
SpectraBase Compound ID 5xPJrOrT3BV
InChI InChI=1S/C30H38O5/c1-7-32-28-18-22(12-14-26(28)34-20(3)4)16-24-10-9-11-25(30(24)31)17-23-13-15-27(35-21(5)6)29(19-23)33-8-2/h12-21H,7-11H2,1-6H3/b24-16-,25-17+
InChIKey KRFCZHAAUFBNQD-DRPBVWSQSA-N
Mol Weight 478.6 g/mol
Molecular Formula C30H38O5
Exact Mass 478.271924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7lGL8cz6jGS
Name (2Z,6E)-2,6-bis(3-Ethoxy-4-isopropoxybenzylidene)cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.271924319 u
Formula C30H38O5
InChI InChI=1S/C30H38O5/c1-7-32-28-18-22(12-14-26(28)34-20(3)4)16-24-10-9-11-25(30(24)31)17-23-13-15-27(35-21(5)6)29(19-23)33-8-2/h12-21H,7-11H2,1-6H3/b24-16-,25-17+
InChIKey KRFCZHAAUFBNQD-DRPBVWSQSA-N
Molecular Weight 478.629 g/mol
SMILES C1(\C(CCC\C1=C\C=1C=C(OCC)C(=CC1)OC(C)C)=C/C1=CC(OCC)=C(C=C1)OC(C)C)=O