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(E)-15-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)pentadec-2-enoic acid
SpectraBase Compound ID 93Sy3SckpPo
InChI InChI=1S/C22H32O6/c1-28-19-16-18(23)21(26)17(22(19)27)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(24)25/h13,15-16,26H,2-12,14H2,1H3,(H,24,25)/b15-13+
InChIKey GQNTVUVSGBPBOS-FYWRMAATSA-N
Mol Weight 392.5 g/mol
Molecular Formula C22H32O6
Exact Mass 392.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LjpRO4BRzGD
Name (E)-15-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)pentadec-2-enoic acid
Alternate Name(s) (E)-15-(2-hydroxy-5-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-pentadecenoic acid (E)-15-(2-hydroxy-5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)pentadec-2-enoic acid (E)-15-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]pentadec-2-enoic acid
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Formula C22H32O6
InChI InChI=1S/C22H32O6/c1-28-19-16-18(23)21(26)17(22(19)27)14-12-10-8-6-4-2-3-5-7-9-11-13-15-20(24)25/h13,15-16,26H,2-12,14H2,1H3,(H,24,25)/b15-13+
InChIKey GQNTVUVSGBPBOS-FYWRMAATSA-N
Molecular Weight 392.492 g/mol
SMILES OC1=C(CCCCCCCCCCCC\C=C\C(=O)O)C(C(=CC1=O)OC)=O
SPLASH splash10-014i-1908000000-0b42eefaa29e80906824
Source of Spectrum U-1997-315-2
Wiley ID 769299