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(1E,3E,5E)-3-ethyl 1,6-bis(2-hydroxyethyl) 4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate
SpectraBase Compound ID L6fOmaACbRn
InChI InChI=1S/C21H24O8/c1-2-27-21(26)18(9-11-20(25)29-15-13-23)17(16-6-4-3-5-7-16)8-10-19(24)28-14-12-22/h3-11,22-23H,2,12-15H2,1H3/b10-8+,11-9+,18-17+
InChIKey PWGIKCPKPAGGER-AVUNFGCQSA-N
Mol Weight 404.42 g/mol
Molecular Formula C21H24O8
Exact Mass 404.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1lWGv9clSy
Name (1E,3E,5E)-3-ethyl 1,6-bis(2-hydroxyethyl) 4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate
Alternate Name(s) 3-O-ethyl 1-O,6-O-bis(2-hydroxyethyl) (1E,3E,5E)-4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate O3-ethyl O1,O6-bis(2-hydroxyethyl) (1E,3E,5E)-4-phenylhexa-1,3,5-triene-1,3,6-tricarboxylate
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Formula C21H24O8
InChI InChI=1S/C21H24O8/c1-2-27-21(26)18(9-11-20(25)29-15-13-23)17(16-6-4-3-5-7-16)8-10-19(24)28-14-12-22/h3-11,22-23H,2,12-15H2,1H3/b10-8+,11-9+,18-17+
InChIKey PWGIKCPKPAGGER-AVUNFGCQSA-N
Literature Reference DOI 10.1021/jo101554r
Molecular Weight 404.415 g/mol
SMILES OCCOC(\C=C\C(=C\(\C=C\C(OCCO)=O)C(=O)OCC)c1ccccc1)=O
SPLASH splash10-0v0r-3793000000-ef6a8e0282d911422831
Source of Spectrum J-75-8279/SM4-3ac
Wiley ID 1751794