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3-[(3-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
SpectraBase Compound ID Ij81ylWLTaf
InChI InChI=1S/C19H20BrNO5/c1-3-26-16-8-7-12(10-17(16)25-2)15(11-18(22)23)21-19(24)13-5-4-6-14(20)9-13/h4-10,15H,3,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKey XTULTIMLNQDAOX-UHFFFAOYSA-N
Mol Weight 422.28 g/mol
Molecular Formula C19H20BrNO5
Exact Mass 421.052486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F74vhciVGnC
Name 3-[(3-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid
Alternate Name(s) 3-[(3-bromophenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid 3-[[(3-bromophenyl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid 3-[(3-bromobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
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Formula C19H20BrNO5
InChI InChI=1S/C19H20BrNO5/c1-3-26-16-8-7-12(10-17(16)25-2)15(11-18(22)23)21-19(24)13-5-4-6-14(20)9-13/h4-10,15H,3,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKey XTULTIMLNQDAOX-UHFFFAOYSA-N
Molecular Weight 422.275 g/mol
SMILES N(C(c1cc(Br)ccc1)=O)C(CC(=O)O)c1cc(OC)c(cc1)OCC
SPLASH splash10-0fa9-6910000000-7092fd7bbfb2dfe8605c
Wiley ID 1443667