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3-(3,4-dimethoxyphenyl)-3-[(2-ketochromene-3-carbonyl)amino]propionic acid
SpectraBase Compound ID IB3khcmCDnc
InChI InChI=1S/C21H19NO7/c1-27-17-8-7-12(10-18(17)28-2)15(11-19(23)24)22-20(25)14-9-13-5-3-4-6-16(13)29-21(14)26/h3-10,15H,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKey MRZOHXVESLCTCR-UHFFFAOYSA-N
Mol Weight 397.38 g/mol
Molecular Formula C21H19NO7
Exact Mass 397.116152 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRhJ0ZwBJMI
Name 3-(3,4-dimethoxyphenyl)-3-[(2-ketochromene-3-carbonyl)amino]propionic acid
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Formula C21H19NO7
InChI InChI=1S/C21H19NO7/c1-27-17-8-7-12(10-18(17)28-2)15(11-19(23)24)22-20(25)14-9-13-5-3-4-6-16(13)29-21(14)26/h3-10,15H,11H2,1-2H3,(H,22,25)(H,23,24)
InChIKey MRZOHXVESLCTCR-UHFFFAOYSA-N
Molecular Weight 397.383 g/mol
SMILES N(C(C=1C(Oc2c(C1)cccc2)=O)=O)C(CC(=O)O)c1cc(OC)c(cc1)OC
SPLASH splash10-00di-5921000000-c4bbe39bc1d0a2fbf409
Synonyms 3-(3,4-dimethoxyphenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propanoic acid 3-(3,4-dimethoxyphenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoic acid 3-(3,4-dimethoxyphenyl)-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propanoic acid
Wiley ID 1444491