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1-Eicosanyl 3,4-dihydroxycinnamate
SpectraBase Compound ID 5KfBtPPKsCH
InChI InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3/b23-21+
InChIKey LTSJTDDQUOUKJT-XTQSDGFTSA-N
Mol Weight 460.7 g/mol
Molecular Formula C29H48O4
Exact Mass 460.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhUhjW8563s
Name 1-Eicosanyl 3,4-dihydroxycinnamate
Alternate Name(s) (E)-icosyl 3-(3,4-dihydroxyphenyl)acrylate (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid eicosyl ester Icosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Icosyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
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Formula C29H48O4
InChI InChI=1S/C29H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-29(32)23-21-26-20-22-27(30)28(31)25-26/h20-23,25,30-31H,2-19,24H2,1H3/b23-21+
InChIKey LTSJTDDQUOUKJT-XTQSDGFTSA-N
Molecular Weight 460.699 g/mol
SMILES Oc1ccc(cc1O)\C=C\C(OCCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-03gi-0900200000-901bbd92856c23bbba29
Source of Spectrum Y1-45B-256-5j
Wiley ID 1744407