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3-(5-chloro-2-hydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide

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3-(5-chloro-2-hydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
SpectraBase Compound ID J7gwHQdCURg
InChI InChI=1S/C25H26ClNO4/c1-30-23-11-8-17(14-24(23)31-2)12-13-27-25(29)16-20(18-6-4-3-5-7-18)21-15-19(26)9-10-22(21)28/h3-11,14-15,20,28H,12-13,16H2,1-2H3,(H,27,29)
InChIKey IEIPENLXEZMDDY-UHFFFAOYSA-N
Mol Weight 439.94 g/mol
Molecular Formula C25H26ClNO4
Exact Mass 439.155036 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8uMxQ01DCIR
Name 3-(5-Chloro-2-hydroxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 439.155036017 u
Formula C25H26ClNO4
InChI InChI=1S/C25H26ClNO4/c1-30-23-11-8-17(14-24(23)31-2)12-13-27-25(29)16-20(18-6-4-3-5-7-18)21-15-19(26)9-10-22(21)28/h3-11,14-15,20,28H,12-13,16H2,1-2H3,(H,27,29)
InChIKey IEIPENLXEZMDDY-UHFFFAOYSA-N
Molecular Weight 439.939 g/mol
SMILES N(C(CC(C=1C(=CC=C(C1)Cl)O)C=1C=CC=CC1)=O)CCC=1C=C(OC)C(=CC1)OC