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N-(4-Bromobenzyl)-N-(2-pyridyl)-3-coumarincarboxamide

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

N-(4-Bromobenzyl)-N-(2-pyridyl)-3-coumarincarboxamide
SpectraBase Compound ID FdaB3w5Jzr3
InChI InChI=1S/C22H15BrN2O3/c23-17-10-8-15(9-11-17)14-25(20-7-3-4-12-24-20)21(26)18-13-16-5-1-2-6-19(16)28-22(18)27/h1-13H,14H2
InChIKey GJIDDEWASYSWBV-UHFFFAOYSA-N
Mol Weight 435.28 g/mol
Molecular Formula C22H15BrN2O3
Exact Mass 434.026605 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L3sLkwQF7LG
Name N-(4-Bromobenzyl)-N-(2-pyridyl)-3-coumarincarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 434.026605348 u
Formula C22H15BrN2O3
InChI InChI=1S/C22H15BrN2O3/c23-17-10-8-15(9-11-17)14-25(20-7-3-4-12-24-20)21(26)18-13-16-5-1-2-6-19(16)28-22(18)27/h1-13H,14H2
InChIKey GJIDDEWASYSWBV-UHFFFAOYSA-N
Molecular Weight 435.277 g/mol
SMILES C=1(C(N(C2=NC=CC=C2)CC2=CC=C(C=C2)Br)=O)C(OC=2C=CC=CC2C1)=O