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3-[(6-bromo-2-keto-8-methoxy-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester
SpectraBase Compound ID 1ZxdA3yVtX
InChI InChI=1S/C23H22BrNO7/c1-4-31-20(26)12-18(13-5-7-16(29-2)8-6-13)25-22(27)17-10-14-9-15(24)11-19(30-3)21(14)32-23(17)28/h5-11,18H,4,12H2,1-3H3,(H,25,27)
InChIKey NWHAVCGGVLBUNU-UHFFFAOYSA-N
Mol Weight 504.33 g/mol
Molecular Formula C23H22BrNO7
Exact Mass 503.057965 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79oZYSKcO0L
Name 3-[(6-bromo-2-keto-8-methoxy-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propionic acid ethyl ester
Alternate Name(s) 3-[[(6-bromo-8-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid ethyl ester Ethyl 3-[(6-bromanyl-8-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(4-methoxyphenyl)propanoate Ethyl 3-[(6-bromo-8-methoxy-2-oxo-chromene-3-carbonyl)amino]-3-(4-methoxyphenyl)propanoate Ethyl 3-{[(6-bromo-8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(4-methoxyphenyl)propanoate
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Formula C23H22BrNO7
InChI InChI=1S/C23H22BrNO7/c1-4-31-20(26)12-18(13-5-7-16(29-2)8-6-13)25-22(27)17-10-14-9-15(24)11-19(30-3)21(14)32-23(17)28/h5-11,18H,4,12H2,1-3H3,(H,25,27)
InChIKey NWHAVCGGVLBUNU-UHFFFAOYSA-N
Molecular Weight 504.333 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(cc2OC)Br)=O)=O)C(CC(=O)OCC)c1ccc(cc1)OC
SPLASH splash10-00e9-4790000000-cdeee18295de931c9fbc
Wiley ID 1443408