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3-(2-Chlorophenyl)-3-[(2-ketochromene-3-carbonyl)amino]propionic acid ethyl ester
SpectraBase Compound ID AIG12Umxmo9
InChI InChI=1S/C21H18ClNO5/c1-2-27-19(24)12-17(14-8-4-5-9-16(14)22)23-20(25)15-11-13-7-3-6-10-18(13)28-21(15)26/h3-11,17H,2,12H2,1H3,(H,23,25)
InChIKey XVFCJPXBGZJGCF-UHFFFAOYSA-N
Mol Weight 399.83 g/mol
Molecular Formula C21H18ClNO5
Exact Mass 399.08735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyB3Z1EH2Jt
Name 3-(2-Chlorophenyl)-3-[(2-ketochromene-3-carbonyl)amino]propionic acid ethyl ester
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Formula C21H18ClNO5
InChI InChI=1S/C21H18ClNO5/c1-2-27-19(24)12-17(14-8-4-5-9-16(14)22)23-20(25)15-11-13-7-3-6-10-18(13)28-21(15)26/h3-11,17H,2,12H2,1H3,(H,23,25)
InChIKey XVFCJPXBGZJGCF-UHFFFAOYSA-N
Molecular Weight 399.830 g/mol
SMILES N(C(CC(=O)OCC)c1c(Cl)cccc1)C(C=1C(Oc2c(C1)cccc2)=O)=O
SPLASH splash10-00di-2912000000-1c80f474b0f477c11a1a
Synonyms 3-(2-Chlorophenyl)-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propanoic acid ethyl ester Ethyl 3-(2-chlorophenyl)-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propanoate Ethyl 3-(2-chlorophenyl)-3-[(2-oxochromene-3-carbonyl)amino]propanoate Ethyl 3-(2-chlorophenyl)-3-{[(2-oxo-2H-chromen-3-yl)carbonyl]amino}propanoate
Wiley ID 1442145