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2-(4-Bromophenyl)-2-oxoethyl 5-oxo-5-(4-toluidino)pentanoate

View entire compound with spectra: 2 NMR

2-(4-Bromophenyl)-2-oxoethyl 5-oxo-5-(4-toluidino)pentanoate
SpectraBase Compound ID 7x8b57C83KG
InChI InChI=1S/C20H20BrNO4/c1-14-5-11-17(12-6-14)22-19(24)3-2-4-20(25)26-13-18(23)15-7-9-16(21)10-8-15/h5-12H,2-4,13H2,1H3,(H,22,24)
InChIKey IVKFWVWFDCEVAP-UHFFFAOYSA-N
Mol Weight 418.29 g/mol
Molecular Formula C20H20BrNO4
Exact Mass 417.057571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AMRCgxNFvoc
Name 2-(4-Bromophenyl)-2-oxoethyl 5-oxo-5-(4-toluidino)pentanoate
Comments Computed using HOSE algorithm
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Exact Mass 417.057571124 u
Formula C20H20BrNO4
InChI InChI=1S/C20H20BrNO4/c1-14-5-11-17(12-6-14)22-19(24)3-2-4-20(25)26-13-18(23)15-7-9-16(21)10-8-15/h5-12H,2-4,13H2,1H3,(H,22,24)
InChIKey IVKFWVWFDCEVAP-UHFFFAOYSA-N
Molecular Weight 418.287 g/mol
SMILES N(C(=O)CCCC(OCC(C1=CC=C(C=C1)Br)=O)=O)C=1C=CC(=CC1)C