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3-[(3-chlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
SpectraBase Compound ID LmCCynQDnO2
InChI InChI=1S/C18H18ClNO5/c1-24-15-7-6-11(9-16(15)25-2)14(10-17(21)22)20-18(23)12-4-3-5-13(19)8-12/h3-9,14H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKey BEYCNERVVRAQAS-UHFFFAOYSA-N
Mol Weight 363.8 g/mol
Molecular Formula C18H18ClNO5
Exact Mass 363.08735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DQR1jSiwd9z
Name 3-[(3-chlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
Alternate Name(s) 3-[(3-chlorophenyl)carbonylamino]-3-(3,4-dimethoxyphenyl)propanoic acid 3-[[(3-chlorophenyl)-oxomethyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
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Formula C18H18ClNO5
InChI InChI=1S/C18H18ClNO5/c1-24-15-7-6-11(9-16(15)25-2)14(10-17(21)22)20-18(23)12-4-3-5-13(19)8-12/h3-9,14H,10H2,1-2H3,(H,20,23)(H,21,22)
InChIKey BEYCNERVVRAQAS-UHFFFAOYSA-N
Molecular Weight 363.797 g/mol
SMILES N(C(CC(O)=O)c1cc(c(cc1)OC)OC)C(=O)c1cc(ccc1)Cl
SPLASH splash10-007c-7920000000-ad244033525a6bcb7677
Wiley ID 1445798