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2-(1-keto-4,7-dimethyl-indan-2-yl)acetic acid
SpectraBase Compound ID 4fzLzP9eGto
InChI InChI=1S/C13H14O3/c1-7-3-4-8(2)12-10(7)5-9(13(12)16)6-11(14)15/h3-4,9H,5-6H2,1-2H3,(H,14,15)
InChIKey QGOBVHAYBHGNNM-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B2VYZtq7qs
Name 2-(1-keto-4,7-dimethyl-indan-2-yl)acetic acid
Alternate Name(s) 2-(4,7-dimethyl-1-oxo-indan-2-yl)acetic acid 2-(4,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-2-yl)ethanoic acid 2-(4,7-dimethyl-3-oxo-1,2-dihydroinden-2-yl)acetic acid
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Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-7-3-4-8(2)12-10(7)5-9(13(12)16)6-11(14)15/h3-4,9H,5-6H2,1-2H3,(H,14,15)
InChIKey QGOBVHAYBHGNNM-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES OC(CC1Cc2c(C1=O)c(C)ccc2C)=O
SPLASH splash10-0aor-0910000000-aea5eba391625bc6a0ae
Source of Spectrum AH-127-197-15
Wiley ID 1217786