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Benzoic acid, 4-[[3-[(3-chlorophenyl)methoxy]benzoyl]amino]-, methyl ester
SpectraBase Compound ID ISFucc69ULi
InChI InChI=1S/C22H18ClNO4/c1-27-22(26)16-8-10-19(11-9-16)24-21(25)17-5-3-7-20(13-17)28-14-15-4-2-6-18(23)12-15/h2-13H,14H2,1H3,(H,24,25)
InChIKey OOBDODCIBHOCLI-UHFFFAOYSA-N
Mol Weight 395.84 g/mol
Molecular Formula C22H18ClNO4
Exact Mass 395.092436 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBJDjC8TvYS
Name Benzoic acid, 4-[[3-[(3-chlorophenyl)methoxy]benzoyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 395.092435760 u
Formula C22H18ClNO4
InChI InChI=1S/C22H18ClNO4/c1-27-22(26)16-8-10-19(11-9-16)24-21(25)17-5-3-7-20(13-17)28-14-15-4-2-6-18(23)12-15/h2-13H,14H2,1H3,(H,24,25)
InChIKey OOBDODCIBHOCLI-UHFFFAOYSA-N
Molecular Weight 395.842 g/mol
SMILES N(C(C=1C=C(OCC2=CC(Cl)=CC=C2)C=CC1)=O)C=1C=CC(C(=O)OC)=CC1