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3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-3-(4-chlorophenyl)propanoic acid
SpectraBase Compound ID FFpXbjXsNfu
InChI InChI=1S/C17H15BrClNO4/c1-24-15-7-4-11(8-13(15)18)17(23)20-14(9-16(21)22)10-2-5-12(19)6-3-10/h2-8,14H,9H2,1H3,(H,20,23)(H,21,22)
InChIKey RYEQMICTJAAFTQ-UHFFFAOYSA-N
Mol Weight 412.67 g/mol
Molecular Formula C17H15BrClNO4
Exact Mass 410.987299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QSZbfDfOEv
Name 3-[(3-bromanyl-4-methoxy-phenyl)carbonylamino]-3-(4-chlorophenyl)propanoic acid
Alternate Name(s) 3-[(3-bromo-4-methoxy-benzoyl)amino]-3-(4-chlorophenyl)propanoic acid 3-[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-3-(4-chlorophenyl)propanoic acid 3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-chlorophenyl)propanoic acid
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Formula C17H15BrClNO4
InChI InChI=1S/C17H15BrClNO4/c1-24-15-7-4-11(8-13(15)18)17(23)20-14(9-16(21)22)10-2-5-12(19)6-3-10/h2-8,14H,9H2,1H3,(H,20,23)(H,21,22)
InChIKey RYEQMICTJAAFTQ-UHFFFAOYSA-N
Molecular Weight 412.667 g/mol
SMILES N(C(c1cc(Br)c(cc1)OC)=O)C(CC(=O)O)c1ccc(cc1)Cl
SPLASH splash10-01r2-7930000000-798062b5cddcab1f784a
Wiley ID 1445791