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4-(6-Methoxycarbonylhexyl)cyclopent-4-ene-1,3-dione
SpectraBase Compound ID 9AlGrES2vD7
InChI InChI=1S/C13H18O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8H,2-7,9H2,1H3
InChIKey PBUHSBIZFFEOFM-UHFFFAOYSA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2fZWge7os5K
Name 4-(6-Methoxycarbonylhexyl)cyclopent-4-ene-1,3-dione
Alternate Name(s) Methyl 7-(3,5-dioxo-1-cyclopenten-1-yl)heptanoate 7-(3,5-dioxo-1-cyclopentenyl)heptanoic acid methyl ester Methyl 7-(3,5-dioxocyclopenten-1-yl)heptanoate Methyl 7-[3,5-bis(oxidanylidene)cyclopenten-1-yl]heptanoate
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Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-17-13(16)7-5-3-2-4-6-10-8-11(14)9-12(10)15/h8H,2-7,9H2,1H3
InChIKey PBUHSBIZFFEOFM-UHFFFAOYSA-N
Molecular Weight 238.283 g/mol
SMILES C=1(C(CC(C1)=O)=O)CCCCCCC(=O)OC
SPLASH splash10-0900-9610000000-d4d095264a0fd1253cb5
Source of Spectrum F-54-1597-3
Wiley ID 805679