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Nicotinamide, N-(2-iodo-4-methylphenyl)-

View entire compound with spectra: 1 FTIR

Nicotinamide, N-(2-iodo-4-methylphenyl)-
SpectraBase Compound ID CveCt48neYm
InChI InChI=1S/C13H11IN2O/c1-9-4-5-12(11(14)7-9)16-13(17)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)
InChIKey MYXYMRYJDVXNLX-UHFFFAOYSA-N
Mol Weight 338.15 g/mol
Molecular Formula C13H11IN2O
Exact Mass 337.991608 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Fi3LlbqfQoa
Name Nicotinamide, N-(2-iodo-4-methylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 337.991607981 u
Formula C13H11IN2O
InChI InChI=1S/C13H11IN2O/c1-9-4-5-12(11(14)7-9)16-13(17)10-3-2-6-15-8-10/h2-8H,1H3,(H,16,17)
InChIKey MYXYMRYJDVXNLX-UHFFFAOYSA-N
Molecular Weight 338.148 g/mol
SMILES CC1=CC(=C(NC(C2=CN=CC=C2)=O)C=C1)I
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951837