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Methyl 10-(benzoyloxy)docosa-7,11,13,16-tetraenoate
SpectraBase Compound ID 36WLqpdQJVW
InChI InChI=1S/C30H42O4/c1-3-4-5-6-7-8-9-10-13-19-24-28(34-30(32)27-22-17-16-18-23-27)25-20-14-11-12-15-21-26-29(31)33-2/h7-8,10,13-14,16-20,22-24,28H,3-6,9,11-12,15,21,25-26H2,1-2H3/b8-7-,13-10+,20-14+,24-19+/t28-/m0/s1
InChIKey DRWFYZHBXWYVRC-ASCAEUJUSA-N
Mol Weight 466.7 g/mol
Molecular Formula C30H42O4
Exact Mass 466.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kwpk3ZbUi1P
Name Methyl 10-(benzoyloxy)docosa-7,11,13,16-tetraenoate
Alternate Name(s) (2E,4E,7E)-1-[(2E)-9-methoxy-9-oxo-2-nonenyl]-2,4,7-tridecatrienyl benzoate Benzoic acid (2E,4E,7Z)-(R)-1-((E)-8-methoxycarbonyl-oct-2-enyl)-trideca-2,4,7-trienyl ester
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Formula C30H42O4
InChI InChI=1S/C30H42O4/c1-3-4-5-6-7-8-9-10-13-19-24-28(34-30(32)27-22-17-16-18-23-27)25-20-14-11-12-15-21-26-29(31)33-2/h7-8,10,13-14,16-20,22-24,28H,3-6,9,11-12,15,21,25-26H2,1-2H3/b8-7-,13-10+,20-14+,24-19+/t28-/m0/s1
InChIKey DRWFYZHBXWYVRC-ASCAEUJUSA-N
Molecular Weight 466.662 g/mol
SMILES C(O[C@@](\C=C\C=C\C\C=C/CCCCC)(C\C=C\CCCCCC(=O)OC)[H])(=O)c1ccccc1
SPLASH splash10-0a4i-1900000000-30d43e748ebc6a300214
Source of Spectrum H-82-683-3
Wiley ID 815502