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Ethyl 2-[benzyl(4-methoxyphenyl)amino]-4-(4-methoxyphenyl)butyrate
SpectraBase Compound ID 4AcZRPiv994
InChI InChI=1S/C27H31NO4/c1-4-32-27(29)26(19-12-21-10-15-24(30-2)16-11-21)28(20-22-8-6-5-7-9-22)23-13-17-25(31-3)18-14-23/h5-11,13-18,26H,4,12,19-20H2,1-3H3
InChIKey QWEROMHTZKYWHL-UHFFFAOYSA-N
Mol Weight 433.55 g/mol
Molecular Formula C27H31NO4
Exact Mass 433.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KImxtvaofk2
Name Ethyl 2-[benzyl(4-methoxyphenyl)amino]-4-(4-methoxyphenyl)butyrate
Comments Computed using HOSE algorithm
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Exact Mass 433.225308478 u
Formula C27H31NO4
InChI InChI=1S/C27H31NO4/c1-4-32-27(29)26(19-12-21-10-15-24(30-2)16-11-21)28(20-22-8-6-5-7-9-22)23-13-17-25(31-3)18-14-23/h5-11,13-18,26H,4,12,19-20H2,1-3H3
InChIKey QWEROMHTZKYWHL-UHFFFAOYSA-N
Molecular Weight 433.548 g/mol
SMILES C(C(CCC=1C=CC(=CC1)OC)N(C=1C=CC(=CC1)OC)CC=1C=CC=CC1)(=O)OCC