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Butanoic acid, 4-[(4-acetylphenyl)amino]-4-oxo-, 1-methyl-2-(4-methylphenyl)-2-oxoethyl ester
SpectraBase Compound ID A1gStOaGk0C
InChI InChI=1S/C22H23NO5/c1-14-4-6-18(7-5-14)22(27)16(3)28-21(26)13-12-20(25)23-19-10-8-17(9-11-19)15(2)24/h4-11,16H,12-13H2,1-3H3,(H,23,25)
InChIKey UGFWOFOADUSXMR-UHFFFAOYSA-N
Mol Weight 381.43 g/mol
Molecular Formula C22H23NO5
Exact Mass 381.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CxwbHsgJXvy
Name Butanoic acid, 4-[(4-acetylphenyl)amino]-4-oxo-, 1-methyl-2-(4-methylphenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.157622840 u
Formula C22H23NO5
InChI InChI=1S/C22H23NO5/c1-14-4-6-18(7-5-14)22(27)16(3)28-21(26)13-12-20(25)23-19-10-8-17(9-11-19)15(2)24/h4-11,16H,12-13H2,1-3H3,(H,23,25)
InChIKey UGFWOFOADUSXMR-UHFFFAOYSA-N
Molecular Weight 381.428 g/mol
SMILES N(C(CCC(OC(C(C1=CC=C(C=C1)C)=O)C)=O)=O)C1=CC=C(C(=O)C)C=C1