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Diethyl 5-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate

View entire compound with spectra: 2 NMR

Diethyl 5-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate
SpectraBase Compound ID 2ggtDsD56ME
InChI InChI=1S/C30H28N2O6/c1-4-36-23-11-9-10-19(17-23)27-18-25(24-12-7-8-13-26(24)32-27)28(33)31-22-15-20(29(34)37-5-2)14-21(16-22)30(35)38-6-3/h7-18H,4-6H2,1-3H3,(H,31,33)
InChIKey IVSOHVVWWFTDIE-UHFFFAOYSA-N
Mol Weight 512.56 g/mol
Molecular Formula C30H28N2O6
Exact Mass 512.194737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUFaf62bVls
Name Diethyl 5-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)isophthalate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.194736624 u
Formula C30H28N2O6
InChI InChI=1S/C30H28N2O6/c1-4-36-23-11-9-10-19(17-23)27-18-25(24-12-7-8-13-26(24)32-27)28(33)31-22-15-20(29(34)37-5-2)14-21(16-22)30(35)38-6-3/h7-18H,4-6H2,1-3H3,(H,31,33)
InChIKey IVSOHVVWWFTDIE-UHFFFAOYSA-N
Molecular Weight 512.562 g/mol
SMILES N(C(C=1C=C(C2=CC(OCC)=CC=C2)N=C2C1C=CC=C2)=O)C1=CC(C(=O)OCC)=CC(=C1)C(=O)OCC