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4-{4-[(Hexyloxy)methyl]-2,5-dioxocyclohexa-3,6-dienyl}-2,5-dimethoxybenzaldehyde
SpectraBase Compound ID IUl23vH7PEq
InChI InChI=1S/C22H26O6/c1-4-5-6-7-8-28-14-16-9-20(25)17(11-19(16)24)18-12-21(26-2)15(13-23)10-22(18)27-3/h9-13H,4-8,14H2,1-3H3
InChIKey JRCZJQNQWKTFFA-UHFFFAOYSA-N
Mol Weight 386.44 g/mol
Molecular Formula C22H26O6
Exact Mass 386.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VFofehQXMk
Name 4-{4-[(Hexyloxy)methyl]-2,5-dioxocyclohexa-3,6-dienyl}-2,5-dimethoxybenzaldehyde
Alternate Name(s) 4'-((hexyloxy)methyl)-2,5-dimethoxy-2',5'-dioxo-2',5'-dihydro-[1,1'-biphenyl]-4-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O6
InChI InChI=1S/C22H26O6/c1-4-5-6-7-8-28-14-16-9-20(25)17(11-19(16)24)18-12-21(26-2)15(13-23)10-22(18)27-3/h9-13H,4-8,14H2,1-3H3
InChIKey JRCZJQNQWKTFFA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200690059
Molecular Weight 386.444 g/mol
SMILES C(c1c(cc(c(c1)OC)C=1C(C=C(C(C1)=O)COCCCCCC)=O)OC)=O
SPLASH splash10-0006-9010000000-02b9e04f17ae583d9157
Source of Spectrum CBD-3-564-12b
Wiley ID 1790278