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2H-1-benzopyran-3-propanoic acid, .beta.-oxo-, methyl ester
SpectraBase Compound ID GEF3RQ9WefW
InChI InChI=1S/C13H12O4/c1-16-13(15)7-11(14)10-6-9-4-2-3-5-12(9)17-8-10/h2-6H,7-8H2,1H3
InChIKey YSYZMVCFMNRNAC-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ha1VKRcad7
Name 2H-1-benzopyran-3-propanoic acid, .beta.-oxo-, methyl ester
Alternate Name(s) Methyl 3-(2H-chromen-3-yl)-3-oxopropanoate 3-(2H-1-benzopyran-3-yl)-3-oxopropanoic acid methyl ester Methyl 3-(2H-chromen-3-yl)-3-oxo-propanoate Methyl 3-(2H-chromen-3-yl)-3-oxidanylidene-propanoate
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Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-16-13(15)7-11(14)10-6-9-4-2-3-5-12(9)17-8-10/h2-6H,7-8H2,1H3
InChIKey YSYZMVCFMNRNAC-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES COC(=O)CC(=O)C1=Cc2ccccc2OC1
SPLASH splash10-0089-5910000000-07fd57e6838d27f8cd25
Source of Spectrum JX-2015-0-937
Wiley ID 1720809