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2,2'-bi-Ethylcinchoninate

View entire compound with spectra: 1 NMR

2,2'-bi-Ethylcinchoninate
SpectraBase Compound ID 7jaihBVy7DY
InChI InChI=1S/C24H20N2O4/c1-3-29-23(27)17-13-21(25-19-11-7-5-9-15(17)19)22-14-18(24(28)30-4-2)16-10-6-8-12-20(16)26-22/h5-14H,3-4H2,1-2H3
InChIKey MHTKEFREHDUDMW-UHFFFAOYSA-N
Mol Weight 400.43 g/mol
Molecular Formula C24H20N2O4
Exact Mass 400.142307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dnieza3j0sO
Name 2,2'-bi-Ethylcinchoninate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.142307128 u
Formula C24H20N2O4
InChI InChI=1S/C24H20N2O4/c1-3-29-23(27)17-13-21(25-19-11-7-5-9-15(17)19)22-14-18(24(28)30-4-2)16-10-6-8-12-20(16)26-22/h5-14H,3-4H2,1-2H3
InChIKey MHTKEFREHDUDMW-UHFFFAOYSA-N
Molecular Weight 400.434 g/mol
SMILES CCOC(=O)C=1C=2C=CC=CC2N=C(C1)C=1C=C(C(OCC)=O)C2=CC=CC=C2N1