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3-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester
SpectraBase Compound ID 804B2pwlJsP
InChI InChI=1S/C19H19Cl2NO3/c1-3-25-17(23)11-16(13-9-7-12(2)8-10-13)22-19(24)18-14(20)5-4-6-15(18)21/h4-10,16H,3,11H2,1-2H3,(H,22,24)
InChIKey RKVKDZDOTILYPW-UHFFFAOYSA-N
Mol Weight 380.27 g/mol
Molecular Formula C19H19Cl2NO3
Exact Mass 379.074199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlNcIgsAQCj
Name 3-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 379.074198873 u
Formula C19H19Cl2NO3
InChI InChI=1S/C19H19Cl2NO3/c1-3-25-17(23)11-16(13-9-7-12(2)8-10-13)22-19(24)18-14(20)5-4-6-15(18)21/h4-10,16H,3,11H2,1-2H3,(H,22,24)
InChIKey RKVKDZDOTILYPW-UHFFFAOYSA-N
Molecular Weight 380.271 g/mol
SMILES C=1C=C(C=CC1C(CC(OCC)=O)NC(=O)C=1C(=CC=CC1Cl)Cl)C