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1-keto-3-methyl-isochroman-3-carboxylic acid
SpectraBase Compound ID KZahHgPjJXS
InChI InChI=1S/C11H10O4/c1-11(10(13)14)6-7-4-2-3-5-8(7)9(12)15-11/h2-5H,6H2,1H3,(H,13,14)
InChIKey XHMJBIRHDOBCBN-UHFFFAOYSA-N
Mol Weight 206.2 g/mol
Molecular Formula C11H10O4
Exact Mass 206.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3nFEeRqJ2e
Name 1-keto-3-methyl-isochroman-3-carboxylic acid
Alternate Name(s) 3-Methyl-1-oxidanylidene-4H-isochromene-3-carboxylic acid 3-Methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid 3-Methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid 3-Methyl-1-oxo-4H-isochromene-3-carboxylic acid 3-Methyl-1-oxo-isochromane-3-carboxylic acid
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Formula C11H10O4
InChI InChI=1S/C11H10O4/c1-11(10(13)14)6-7-4-2-3-5-8(7)9(12)15-11/h2-5H,6H2,1H3,(H,13,14)
InChIKey XHMJBIRHDOBCBN-UHFFFAOYSA-N
Molecular Weight 206.197 g/mol
SMILES OC(C1(Cc2c(cccc2)C(O1)=O)C)=O
SPLASH splash10-03ec-8900000000-df3a59dbf3ec9185614a
Wiley ID 1510858