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2,5-Dimethoxy-4-{2,5-dioxo-4-[(tridecyloxy)methyl]cyclohexa-3,6-dienyl}benzaldehyde
SpectraBase Compound ID 67K3i5tUN2x
InChI InChI=1S/C29H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-35-21-23-16-27(32)24(18-26(23)31)25-19-28(33-2)22(20-30)17-29(25)34-3/h16-20H,4-15,21H2,1-3H3
InChIKey LNHRCDLLANFKFA-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C29H40O6
Exact Mass 484.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6I6gfDBrJc0
Name 2,5-Dimethoxy-4-{2,5-dioxo-4-[(tridecyloxy)methyl]cyclohexa-3,6-dienyl}benzaldehyde
Alternate Name(s) 2,5-Dimethoxy-2',5'-dioxo-4'-((tridecyloxy)methyl)-2',5'-dihydro-[1,1'-biphenyl]-4-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H40O6
InChI InChI=1S/C29H40O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-35-21-23-16-27(32)24(18-26(23)31)25-19-28(33-2)22(20-30)17-29(25)34-3/h16-20H,4-15,21H2,1-3H3
InChIKey LNHRCDLLANFKFA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cbdv.200690059
Molecular Weight 484.633 g/mol
SMILES C(c1c(cc(c(c1)OC)C=1C(C=C(C(C1)=O)COCCCCCCCCCCCCC)=O)OC)=O
SPLASH splash10-052f-9000000000-cae68b6fc21e4f6e2610
Source of Spectrum CBD-3-564-12d
Wiley ID 1790279