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(1E,6E)-1,7-bis(4-methoxyphenyl)hepta-1,6-diene-3,5-dione

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(1E,6E)-1,7-bis(4-methoxyphenyl)hepta-1,6-diene-3,5-dione
SpectraBase Compound ID 8ONIMUUGGNk
InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3/b9-3+,10-4+
InChIKey JFOLIEXFFOBCSM-LQIBPGRFSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DtENzMhYwni
Name (1E,6E)-1,7-bis(4-Methoxyphenyl)hepta-1,6-diene-3,5-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-24-20-11-5-16(6-12-20)3-9-18(22)15-19(23)10-4-17-7-13-21(25-2)14-8-17/h3-14H,15H2,1-2H3/b9-3+,10-4+
InChIKey JFOLIEXFFOBCSM-LQIBPGRFSA-N
Molecular Weight 336.387 g/mol
SMILES C(\C=C\C=1C=CC(=CC1)OC)(CC(\C=C\C=1C=CC(=CC1)OC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850129