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4-[3-(3,5-diketohexyl)-1,4-diketo-2-naphthyl]-3-keto-butyric acid methyl ester
SpectraBase Compound ID In7tVq3fMeb
InChI InChI=1S/C21H20O7/c1-12(22)9-13(23)7-8-17-18(10-14(24)11-19(25)28-2)21(27)16-6-4-3-5-15(16)20(17)26/h3-6H,7-11H2,1-2H3
InChIKey DKAIUEHQBNGMKI-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ApWF0dZFVnf
Name 4-[3-(3,5-diketohexyl)-1,4-diketo-2-naphthyl]-3-keto-butyric acid methyl ester
Alternate Name(s) 4-[3-(3,5-dioxohexyl)-1,4-dioxo-2-naphthalenyl]-3-oxobutanoic acid methyl ester Methyl 4-[3-(3,5-dioxohexyl)-1,4-dioxo-2-naphthyl]-3-oxo-butanoate Methyl 4-[3-(3,5-dioxohexyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate Methyl 4-[3-[3,5-bis(oxidanylidene)hexyl]-1,4-bis(oxidanylidene)naphthalen-2-yl]-3-oxidanylidene-butanoate
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Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-12(22)9-13(23)7-8-17-18(10-14(24)11-19(25)28-2)21(27)16-6-4-3-5-15(16)20(17)26/h3-6H,7-11H2,1-2H3
InChIKey DKAIUEHQBNGMKI-UHFFFAOYSA-N
Molecular Weight 384.384 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)CCC(CC(=O)C)=O)CC(CC(=O)OC)=O
SPLASH splash10-0fc1-2394000000-46a18fd59c56b820f20f
Source of Spectrum U1-1998-2716-6
Wiley ID 751905