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Docosyl-3, 4-dihydroxy-trans-cinnamate
SpectraBase Compound ID 1QIYqEaJgBE
InChI InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-35-31(34)25-23-28-22-24-29(32)30(33)27-28/h22-25,27,32-33H,2-21,26H2,1H3/b25-23+
InChIKey GUWHMEMJBCLEBP-WJTDDFOZSA-N
Mol Weight 488.8 g/mol
Molecular Formula C31H52O4
Exact Mass 488.38656 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HlsE2zbOa
Name Docosyl-3, 4-dihydroxy-trans-cinnamate
Alternate Name(s) (E)-docosyl 3-(3,4-dihydroxyphenyl)acrylate (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid docosyl ester Docosyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Docosyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate
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Formula C31H52O4
InChI InChI=1S/C31H52O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-35-31(34)25-23-28-22-24-29(32)30(33)27-28/h22-25,27,32-33H,2-21,26H2,1H3/b25-23+
InChIKey GUWHMEMJBCLEBP-WJTDDFOZSA-N
Literature Reference DOI 10.1002/cjoc.201200011
Molecular Weight 488.753 g/mol
SMILES Oc1ccc(cc1O)\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0540-3900700000-eb89a42687552b6ed1ae
Source of Spectrum CJC-30-1335/SM7-8
Wiley ID 1772712