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N-Benzyl-5-methyl-7-iodooindole-2,3-dione

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

N-Benzyl-5-methyl-7-iodooindole-2,3-dione
SpectraBase Compound ID Bh6iV5IPco6
InChI InChI=1S/C16H12INO2/c1-10-7-12-14(13(17)8-10)18(16(20)15(12)19)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey KFTHTXPUAYPFJH-UHFFFAOYSA-N
Mol Weight 377.18 g/mol
Molecular Formula C16H12INO2
Exact Mass 376.991274 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5nutokCJ4T0
Name N-Benzyl-5-methyl-7-iodooindole-2,3-dione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.991273628 u
Formula C16H12INO2
InChI InChI=1S/C16H12INO2/c1-10-7-12-14(13(17)8-10)18(16(20)15(12)19)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey KFTHTXPUAYPFJH-UHFFFAOYSA-N
Molecular Weight 377.181 g/mol
SMILES C1(N(C2=C(C1=O)C=C(C=C2I)C)CC=1C=CC=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.831097