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Benzoic acid, 4-[[5-[2-(4-chlorophenyl)-2-oxoethoxy]-1,5-dioxopentyl]amino]-, methyl ester
SpectraBase Compound ID ERP1UyGCWK7
InChI InChI=1S/C21H20ClNO6/c1-28-21(27)15-7-11-17(12-8-15)23-19(25)3-2-4-20(26)29-13-18(24)14-5-9-16(22)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,25)
InChIKey XZRNPIWAKUYWPT-UHFFFAOYSA-N
Mol Weight 417.85 g/mol
Molecular Formula C21H20ClNO6
Exact Mass 417.097915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IsHQarF2M5S
Name Benzoic acid, 4-[[5-[2-(4-chlorophenyl)-2-oxoethoxy]-1,5-dioxopentyl]amino]-, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.097915062 u
Formula C21H20ClNO6
InChI InChI=1S/C21H20ClNO6/c1-28-21(27)15-7-11-17(12-8-15)23-19(25)3-2-4-20(26)29-13-18(24)14-5-9-16(22)10-6-14/h5-12H,2-4,13H2,1H3,(H,23,25)
InChIKey XZRNPIWAKUYWPT-UHFFFAOYSA-N
Molecular Weight 417.845 g/mol
SMILES N(C(=O)CCCC(OCC(C1=CC=C(C=C1)Cl)=O)=O)C=1C=CC(C(=O)OC)=CC1