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2-[(5-keto-2H-furan-4-yl)methyl]benzoic acid methyl ester
SpectraBase Compound ID 5JVU0iff8Tz
InChI InChI=1S/C13H12O4/c1-16-13(15)11-5-3-2-4-9(11)8-10-6-7-17-12(10)14/h2-6H,7-8H2,1H3
InChIKey DGCJMGFWEFIQJN-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 D12GBi73KYG
Name 2-[(5-keto-2H-furan-4-yl)methyl]benzoic acid methyl ester
Alternate Name(s) 2-[(5-oxo-2H-furan-4-yl)methyl]benzoic acid methyl ester Methyl 2-[(5-oxidanylidene-2H-furan-4-yl)methyl]benzoate Methyl 2-[(5-oxo-2H-furan-4-yl)methyl]benzoate
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Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-16-13(15)11-5-3-2-4-9(11)8-10-6-7-17-12(10)14/h2-6H,7-8H2,1H3
InChIKey DGCJMGFWEFIQJN-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES C=1(C(OCC1)=O)Cc1c(C(=O)OC)cccc1
SPLASH splash10-0uy0-4970000000-37fa32975e96af56c236
Source of Spectrum K1-2001-3170-3
Wiley ID 814247