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3-keto-2-[(2-ketochromen-3-yl)methyl]butyric acid ethyl ester
SpectraBase Compound ID KujbcFDCgZD
InChI InChI=1S/C16H16O5/c1-3-20-16(19)13(10(2)17)9-12-8-11-6-4-5-7-14(11)21-15(12)18/h4-8,13H,3,9H2,1-2H3
InChIKey HREQWEOJMOEGDV-UHFFFAOYSA-N
Mol Weight 288.3 g/mol
Molecular Formula C16H16O5
Exact Mass 288.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWyE7t9XE5p
Name 3-keto-2-[(2-ketochromen-3-yl)methyl]butyric acid ethyl ester
Alternate Name(s) 3-oxo-2-[(2-oxo-1-benzopyran-3-yl)methyl]butanoic acid ethyl ester ethyl 3-oxidanylidene-2-[(2-oxidanylidenechromen-3-yl)methyl]butanoate ethyl 3-oxo-2-[(2-oxochromen-3-yl)methyl]butanoate
Comments Less than 3 mono-isotopic peaks
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Formula C16H16O5
InChI InChI=1S/C16H16O5/c1-3-20-16(19)13(10(2)17)9-12-8-11-6-4-5-7-14(11)21-15(12)18/h4-8,13H,3,9H2,1-2H3
InChIKey HREQWEOJMOEGDV-UHFFFAOYSA-N
Molecular Weight 288.299 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)CC(C(=O)OCC)C(=O)C
SPLASH splash10-00di-0090000000-74aec4c5ed5a92adb718
Source of Spectrum MZ-34-3414-13
Wiley ID 1582582