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(2E,6E)-2,6-bis(3,4,5-trimethoxybenzylidene)cyclohexanone

View entire compound with spectra: 2 NMR

(2E,6E)-2,6-bis(3,4,5-trimethoxybenzylidene)cyclohexanone
SpectraBase Compound ID BiAFPS24UG2
InChI InChI=1S/C26H30O7/c1-28-20-12-16(13-21(29-2)25(20)32-5)10-18-8-7-9-19(24(18)27)11-17-14-22(30-3)26(33-6)23(15-17)31-4/h10-15H,7-9H2,1-6H3/b18-10+,19-11+
InChIKey OXIWSGTZUCVQPH-XOBNHNQQSA-N
Mol Weight 454.52 g/mol
Molecular Formula C26H30O7
Exact Mass 454.199153 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7m6ZKk2L6Wb
Name (2E,6E)-2,6-bis(3,4,5-Trimethoxybenzylidene)cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 454.199153299 u
Formula C26H30O7
InChI InChI=1S/C26H30O7/c1-28-20-12-16(13-21(29-2)25(20)32-5)10-18-8-7-9-19(24(18)27)11-17-14-22(30-3)26(33-6)23(15-17)31-4/h10-15H,7-9H2,1-6H3/b18-10+,19-11+
InChIKey OXIWSGTZUCVQPH-XOBNHNQQSA-N
Molecular Weight 454.519 g/mol
SMILES C1(\C(CCC\C1=C\C1=CC(OC)=C(C(=C1)OC)OC)=C\C=1C=C(OC)C(=C(C1)OC)OC)=O