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6-Quinoxalinecarboxylic acid, 2,3-diphenyl-, 2-(4-bromophenyl)-2-oxoethyl ester

View entire compound with spectra: 2 NMR

6-Quinoxalinecarboxylic acid, 2,3-diphenyl-, 2-(4-bromophenyl)-2-oxoethyl ester
SpectraBase Compound ID AdhBnBPUUWr
InChI InChI=1S/C29H19BrN2O3/c30-23-14-11-19(12-15-23)26(33)18-35-29(34)22-13-16-24-25(17-22)32-28(21-9-5-2-6-10-21)27(31-24)20-7-3-1-4-8-20/h1-17H,18H2
InChIKey OKHHIMZBXQHTMY-UHFFFAOYSA-N
Mol Weight 523.39 g/mol
Molecular Formula C29H19BrN2O3
Exact Mass 522.057905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LCTwzcayUs
Name 6-Quinoxalinecarboxylic acid, 2,3-diphenyl-, 2-(4-bromophenyl)-2-oxoethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.057905477 u
Formula C29H19BrN2O3
InChI InChI=1S/C29H19BrN2O3/c30-23-14-11-19(12-15-23)26(33)18-35-29(34)22-13-16-24-25(17-22)32-28(21-9-5-2-6-10-21)27(31-24)20-7-3-1-4-8-20/h1-17H,18H2
InChIKey OKHHIMZBXQHTMY-UHFFFAOYSA-N
Molecular Weight 523.386 g/mol
SMILES C=1C=CC(C=2C(=NC3=C(N2)C=CC(C(OCC(C2=CC=C(C=C2)Br)=O)=O)=C3)C=2C=CC=CC2)=CC1