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(2E,5E)-2,5-bis(3-ethoxy-4-isopropoxybenzylidene)cyclopentanone

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(2E,5E)-2,5-bis(3-ethoxy-4-isopropoxybenzylidene)cyclopentanone
SpectraBase Compound ID H2RzofTKmTH
InChI InChI=1S/C29H36O5/c1-7-31-27-17-21(9-13-25(27)33-19(3)4)15-23-11-12-24(29(23)30)16-22-10-14-26(34-20(5)6)28(18-22)32-8-2/h9-10,13-20H,7-8,11-12H2,1-6H3/b23-15+,24-16+
InChIKey VONYJVJPEGMJCS-DFEHQXHXSA-N
Mol Weight 464.6 g/mol
Molecular Formula C29H36O5
Exact Mass 464.256274 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10lFbkYBBcF
Name (2E,5E)-2,5-bis(3-Ethoxy-4-isopropoxybenzylidene)cyclopentanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.256274254 u
Formula C29H36O5
InChI InChI=1S/C29H36O5/c1-7-31-27-17-21(9-13-25(27)33-19(3)4)15-23-11-12-24(29(23)30)16-22-10-14-26(34-20(5)6)28(18-22)32-8-2/h9-10,13-20H,7-8,11-12H2,1-6H3/b23-15+,24-16+
InChIKey VONYJVJPEGMJCS-DFEHQXHXSA-N
Molecular Weight 464.602 g/mol
SMILES C1(\C(CC\C1=C\C=1C=C(OCC)C(=CC1)OC(C)C)=C\C1=CC(OCC)=C(C=C1)OC(C)C)=O