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3-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester
SpectraBase Compound ID 4Wy2wq5kPl7
InChI InChI=1S/C22H20BrNO6/c1-3-29-20(25)12-18(13-4-7-16(28-2)8-5-13)24-21(26)17-11-14-10-15(23)6-9-19(14)30-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,24,26)
InChIKey BHUXERBAJWROFT-UHFFFAOYSA-N
Mol Weight 474.31 g/mol
Molecular Formula C22H20BrNO6
Exact Mass 473.0474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AAHVnObbTk
Name 3-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester
Alternate Name(s) 3-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester Ethyl 3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(4-methoxyphenyl)propanoate Ethyl 3-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propanoate Ethyl 3-{[(6-bromo-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(4-methoxyphenyl)propanoate
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Formula C22H20BrNO6
InChI InChI=1S/C22H20BrNO6/c1-3-29-20(25)12-18(13-4-7-16(28-2)8-5-13)24-21(26)17-11-14-10-15(23)6-9-19(14)30-22(17)27/h4-11,18H,3,12H2,1-2H3,(H,24,26)
InChIKey BHUXERBAJWROFT-UHFFFAOYSA-N
Molecular Weight 474.307 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(cc2)Br)=O)=O)C(CC(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-00di-5890000000-dfd6e59ae982e35749bd
Wiley ID 1445188