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2,6-Diveratrylidenecyclohexanone
SpectraBase Compound ID 43jaln0ZATV
InChI InChI=1S/C24H26O5/c1-26-20-10-8-16(14-22(20)28-3)12-18-6-5-7-19(24(18)25)13-17-9-11-21(27-2)23(15-17)29-4/h8-15H,5-7H2,1-4H3
InChIKey YOTDZZKBJHGVNA-UHFFFAOYSA-N
Mol Weight 394.47 g/mol
Molecular Formula C24H26O5
Exact Mass 394.178024 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID DpRWkMGytAq
Name 2,6-Diveratrylidenecyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.178023932 u
Formula C24H26O5
InChI InChI=1S/C24H26O5/c1-26-20-10-8-16(14-22(20)28-3)12-18-6-5-7-19(24(18)25)13-17-9-11-21(27-2)23(15-17)29-4/h8-15H,5-7H2,1-4H3
InChIKey YOTDZZKBJHGVNA-UHFFFAOYSA-N
Molecular Weight 394.467 g/mol
SMILES C=1C(=CC=C(C1OC)OC)C=C1CCCC(C1=O)=CC=1C=CC(=C(C1)OC)OC
Spectrum/Structure Validation Score (Raman) 0.990845