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(1E,6E)-1,7-bis(2,3,4-trimethoxyphenyl)hepta-1,6-diene-3,5-dione

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

(1E,6E)-1,7-bis(2,3,4-trimethoxyphenyl)hepta-1,6-diene-3,5-dione
SpectraBase Compound ID 30CDiF40Kpc
InChI InChI=1S/C25H28O8/c1-28-20-13-9-16(22(30-3)24(20)32-5)7-11-18(26)15-19(27)12-8-17-10-14-21(29-2)25(33-6)23(17)31-4/h7-14H,15H2,1-6H3/b11-7+,12-8+
InChIKey WWMVJJPVDTZULA-MKICQXMISA-N
Mol Weight 456.49 g/mol
Molecular Formula C25H28O8
Exact Mass 456.178418 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMrvzaTaQGy
Name (1E,6E)-1,7-bis(2,3,4-Trimethoxyphenyl)hepta-1,6-diene-3,5-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.178417854 u
Formula C25H28O8
InChI InChI=1S/C25H28O8/c1-28-20-13-9-16(22(30-3)24(20)32-5)7-11-18(26)15-19(27)12-8-17-10-14-21(29-2)25(33-6)23(17)31-4/h7-14H,15H2,1-6H3/b11-7+,12-8+
InChIKey WWMVJJPVDTZULA-MKICQXMISA-N
Molecular Weight 456.491 g/mol
SMILES C(\C=C\C=1C(=C(C(=CC1)OC)OC)OC)(CC(\C=C\C=1C(=C(C(=CC1)OC)OC)OC)=O)=O