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2-(2,4,6-Trimethoxyanilino)benzonitrile

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2-(2,4,6-Trimethoxyanilino)benzonitrile
SpectraBase Compound ID GeqhuUKzrhk
InChI InChI=1S/C16H16N2O3/c1-19-12-8-14(20-2)16(15(9-12)21-3)18-13-7-5-4-6-11(13)10-17/h4-9,18H,1-3H3
InChIKey YDJDKHNWSMCKDU-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C16H16N2O3
Exact Mass 284.116092 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5VB4gADznw7
Name 2-(2,4,6-Trimethoxyanilino)benzonitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.116092380 u
Formula C16H16N2O3
InChI InChI=1S/C16H16N2O3/c1-19-12-8-14(20-2)16(15(9-12)21-3)18-13-7-5-4-6-11(13)10-17/h4-9,18H,1-3H3
InChIKey YDJDKHNWSMCKDU-UHFFFAOYSA-N
SMILES C=1(NC=2C(C#N)=CC=CC2)C(=CC(=CC1OC)OC)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.924659