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Nicotinamide, N-(3-chlorophenyl)-

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Nicotinamide, N-(3-chlorophenyl)-
SpectraBase Compound ID D4OBKZrNrNQ
InChI InChI=1S/C12H9ClN2O/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9/h1-8H,(H,15,16)
InChIKey XQPPPWLPXGVYAJ-UHFFFAOYSA-N
Mol Weight 232.67 g/mol
Molecular Formula C12H9ClN2O
Exact Mass 232.040341 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Jj8cVFF6ncx
Name Nicotinamide, N-(3-chlorophenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.040340617 u
Formula C12H9ClN2O
InChI InChI=1S/C12H9ClN2O/c13-10-4-1-5-11(7-10)15-12(16)9-3-2-6-14-8-9/h1-8H,(H,15,16)
InChIKey XQPPPWLPXGVYAJ-UHFFFAOYSA-N
Molecular Weight 232.670 g/mol
SMILES C1=CC=C(C=C1Cl)NC(C1=CN=CC=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963788