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3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid
SpectraBase Compound ID 3oEYethjjlk
InChI InChI=1S/C21H18BrNO7/c1-28-17-5-3-11(9-18(17)29-2)15(10-19(24)25)23-20(26)14-8-12-7-13(22)4-6-16(12)30-21(14)27/h3-9,15H,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKey AWDUKUWRHUOKBF-UHFFFAOYSA-N
Mol Weight 476.28 g/mol
Molecular Formula C21H18BrNO7
Exact Mass 475.026665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JrVAjVTRWK
Name 3-[(6-bromanyl-2-oxidanylidene-chromen-3-yl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid
Alternate Name(s) 3-[(6-bromo-2-keto-chromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propionic acid 3-[(6-bromo-2-oxo-chromene-3-carbonyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid 3-[[(6-bromo-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
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Formula C21H18BrNO7
InChI InChI=1S/C21H18BrNO7/c1-28-17-5-3-11(9-18(17)29-2)15(10-19(24)25)23-20(26)14-8-12-7-13(22)4-6-16(12)30-21(14)27/h3-9,15H,10H2,1-2H3,(H,23,26)(H,24,25)
InChIKey AWDUKUWRHUOKBF-UHFFFAOYSA-N
Molecular Weight 476.279 g/mol
SMILES N(C(C=1C(Oc2c(C1)cc(cc2)Br)=O)=O)C(CC(=O)O)c1cc(OC)c(cc1)OC
SPLASH splash10-0fk9-5970100000-e0038ff7fd6c15386aac
Wiley ID 1443454