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Isonicotinamide, N-(4-bromophenyl)-
SpectraBase Compound ID 7ZTVvfxOV8b
InChI InChI=1S/C12H9BrN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16)
InChIKey GGRSQPUETTVASD-UHFFFAOYSA-N
Mol Weight 277.12 g/mol
Molecular Formula C12H9BrN2O
Exact Mass 275.989826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9RmJkqdxvBf
Name Isonicotinamide, N-(4-bromophenyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 275.989825917 u
Formula C12H9BrN2O
InChI InChI=1S/C12H9BrN2O/c13-10-1-3-11(4-2-10)15-12(16)9-5-7-14-8-6-9/h1-8H,(H,15,16)
InChIKey GGRSQPUETTVASD-UHFFFAOYSA-N
SMILES C1=NC=CC(=C1)C(NC1=CC=C(C=C1)Br)=O