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(2E,6E)-2,6-bis[2-(benzyloxy)benzylidene]cyclohexanone

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(2E,6E)-2,6-bis[2-(benzyloxy)benzylidene]cyclohexanone
SpectraBase Compound ID 5MvzDUGahCS
InChI InChI=1S/C34H30O3/c35-34-30(22-28-16-7-9-20-32(28)36-24-26-12-3-1-4-13-26)18-11-19-31(34)23-29-17-8-10-21-33(29)37-25-27-14-5-2-6-15-27/h1-10,12-17,20-23H,11,18-19,24-25H2/b30-22+,31-23+
InChIKey QDLAGLJWDAKIHR-WECXDZCISA-N
Mol Weight 486.6 g/mol
Molecular Formula C34H30O3
Exact Mass 486.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1303aMWYQrI
Name (2E,6E)-2,6-bis[2-(Benzyloxy)benzylidene]cyclohexanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.219494823 u
Formula C34H30O3
InChI InChI=1S/C34H30O3/c35-34-30(22-28-16-7-9-20-32(28)36-24-26-12-3-1-4-13-26)18-11-19-31(34)23-29-17-8-10-21-33(29)37-25-27-14-5-2-6-15-27/h1-10,12-17,20-23H,11,18-19,24-25H2/b30-22+,31-23+
InChIKey QDLAGLJWDAKIHR-WECXDZCISA-N
Molecular Weight 486.611 g/mol
SMILES C1(\C(CCC\C1=C\C=1C(OCC=2C=CC=CC2)=CC=CC1)=C\C1=C(OCC=2C=CC=CC2)C=CC=C1)=O