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6-Bromo-2-(2-naphthyl)cinchoninic acid, p-bromophenacyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

6-Bromo-2-(2-naphthyl)cinchoninic acid, p-bromophenacyl ester
SpectraBase Compound ID Bo2FbUQatxE
InChI InChI=1S/C28H17Br2NO3/c29-21-9-7-18(8-10-21)27(32)16-34-28(33)24-15-26(31-25-12-11-22(30)14-23(24)25)20-6-5-17-3-1-2-4-19(17)13-20/h1-15H,16H2
InChIKey NCUITLILHJGHNE-UHFFFAOYSA-N
Mol Weight 575.26 g/mol
Molecular Formula C28H17Br2NO3
Exact Mass 572.957519 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 59v69htgrrg
Name 6-Bromo-2-(2-naphthyl)cinchoninic acid, p-bromophenacyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 572.957519408 u
Formula C28H17Br2NO3
InChI InChI=1S/C28H17Br2NO3/c29-21-9-7-18(8-10-21)27(32)16-34-28(33)24-15-26(31-25-12-11-22(30)14-23(24)25)20-6-5-17-3-1-2-4-19(17)13-20/h1-15H,16H2
InChIKey NCUITLILHJGHNE-UHFFFAOYSA-N
Molecular Weight 575.256 g/mol
SMILES C1=C(C=CC(=C1)Br)C(=O)COC(C=1C=2C=C(Br)C=CC2N=C(C1)C1=CC=2C=CC=CC2C=C1)=O