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Ethyl 4-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)benzoate
SpectraBase Compound ID I6oiTVCRgqW
InChI InChI=1S/C23H23NO5/c1-3-29-23(27)16-4-8-18(9-5-16)24-14-20-21(25)12-17(13-22(20)26)15-6-10-19(28-2)11-7-15/h4-11,14,17,24H,3,12-13H2,1-2H3/b20-14-
InChIKey AVZHVKOAKFTMJP-ZHZULCJRSA-N
Mol Weight 393.44 g/mol
Molecular Formula C23H23NO5
Exact Mass 393.157623 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6gIMvCAalBG
Name Ethyl 4-({[4-(4-methoxyphenyl)-2,6-dioxocyclohexylidene]methyl}amino)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 393.157622840 u
Formula C23H23NO5
InChI InChI=1S/C23H23NO5/c1-3-29-23(27)16-4-8-18(9-5-16)24-14-20-21(25)12-17(13-22(20)26)15-6-10-19(28-2)11-7-15/h4-11,14,17,24H,3,12-13H2,1-2H3/b20-14-
InChIKey AVZHVKOAKFTMJP-ZHZULCJRSA-N
Molecular Weight 393.439 g/mol
SMILES N(C=C1C(CC(CC1=O)C1=CC=C(C=C1)OC)=O)C=1C=CC(C(=O)OCC)=CC1