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3-[(5-keto-2H-furan-4-yl)methyl]benzoic acid methyl ester
SpectraBase Compound ID JVgkMRr3flO
InChI InChI=1S/C13H12O4/c1-16-12(14)10-4-2-3-9(7-10)8-11-5-6-17-13(11)15/h2-5,7H,6,8H2,1H3
InChIKey HJOQBSGKMRGJAO-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 EatbfIeQWKy
Name 3-[(5-keto-2H-furan-4-yl)methyl]benzoic acid methyl ester
Alternate Name(s) 3-[(5-oxo-2H-furan-4-yl)methyl]benzoic acid methyl ester Methyl 3-[(5-oxidanylidene-2H-furan-4-yl)methyl]benzoate Methyl 3-[(5-oxo-2H-furan-4-yl)methyl]benzoate
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Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-16-12(14)10-4-2-3-9(7-10)8-11-5-6-17-13(11)15/h2-5,7H,6,8H2,1H3
InChIKey HJOQBSGKMRGJAO-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C=1(C(OCC1)=O)Cc1cc(C(=O)OC)ccc1
SPLASH splash10-0udi-0390000000-b8d590cb1a8c4a429f75
Source of Spectrum K1-2001-3170-3
Wiley ID 814249