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(2E,6E)-2,6-bis(2,3-dimethoxybenzylidene)cyclohexanone

View entire compound with spectra: 2 NMR

(2E,6E)-2,6-bis(2,3-dimethoxybenzylidene)cyclohexanone
SpectraBase Compound ID CLw43VkH1p
InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+
InChIKey NCHAALDGNRJQFO-YXLFCKQPSA-N
Mol Weight 394.47 g/mol
Molecular Formula C24H26O5
Exact Mass 394.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85olty3ZdOk
Name (2E,6E)-2,6-bis(2,3-Dimethoxybenzylidene)cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.178023932 u
Formula C24H26O5
InChI InChI=1S/C24H26O5/c1-26-20-12-6-10-18(23(20)28-3)14-16-8-5-9-17(22(16)25)15-19-11-7-13-21(27-2)24(19)29-4/h6-7,10-15H,5,8-9H2,1-4H3/b16-14+,17-15+
InChIKey NCHAALDGNRJQFO-YXLFCKQPSA-N
Molecular Weight 394.467 g/mol
SMILES C1(\C(CCC\C1=C\C1=C(C(OC)=CC=C1)OC)=C\C=1C(=C(OC)C=CC1)OC)=O