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3-(7-Methyl-1,4-dioxo-2,3,4,5,6,7-hexahydroinden-2-yl)propionic acid
SpectraBase Compound ID JYXRs4sJwA5
InChI InChI=1S/C13H16O4/c1-7-2-4-10(14)9-6-8(3-5-11(15)16)13(17)12(7)9/h7-8H,2-6H2,1H3,(H,15,16)
InChIKey ZMEFVNJUFCSFAR-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQ04kPOaVDM
Name 3-(7-Methyl-1,4-dioxo-2,3,4,5,6,7-hexahydroinden-2-yl)propionic acid
Alternate Name(s) 3-(7-Methyl-1,4-dioxo-2,3,4,5,6,7-hexahydro-1H-inden-2-yl)propanoic acid
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-7-2-4-10(14)9-6-8(3-5-11(15)16)13(17)12(7)9/h7-8H,2-6H2,1H3,(H,15,16)
InChIKey ZMEFVNJUFCSFAR-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(CCC1CC2=C(C1=O)C(C)CCC2=O)=O
SPLASH splash10-0lds-4290000000-3272ed785744a416682b
Source of Spectrum F-50-2903-3
Wiley ID 1238144