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N-(4-Bromo-.alpha.-phenylbenzyl)-N-(2-pyridyl)-3-coumarincarboxamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

N-(4-Bromo-.alpha.-phenylbenzyl)-N-(2-pyridyl)-3-coumarincarboxamide
SpectraBase Compound ID 4I8DsDWdpAa
InChI InChI=1S/C28H19BrN2O3/c29-22-15-13-20(14-16-22)26(19-8-2-1-3-9-19)31(25-12-6-7-17-30-25)27(32)23-18-21-10-4-5-11-24(21)34-28(23)33/h1-18,26H
InChIKey DIHIOBLXHOLDIZ-UHFFFAOYSA-N
Mol Weight 511.38 g/mol
Molecular Formula C28H19BrN2O3
Exact Mass 510.057905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FxRLndohKAh
Name N-(4-Bromo-.alpha.-phenylbenzyl)-N-(2-pyridyl)-3-coumarincarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.057905477 u
Formula C28H19BrN2O3
InChI InChI=1S/C28H19BrN2O3/c29-22-15-13-20(14-16-22)26(19-8-2-1-3-9-19)31(25-12-6-7-17-30-25)27(32)23-18-21-10-4-5-11-24(21)34-28(23)33/h1-18,26H
InChIKey DIHIOBLXHOLDIZ-UHFFFAOYSA-N
Molecular Weight 511.375 g/mol
SMILES C(N(C(C1=CC=C(C=C1)Br)C1=CC=CC=C1)C1=CC=CC=N1)(=O)C=1C(OC=2C(C1)=CC=CC2)=O