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4-(4-Formyl-2,6-dimethylphenoxy)butanenitrile

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4-(4-Formyl-2,6-dimethylphenoxy)butanenitrile
SpectraBase Compound ID HT4nKIc4JhI
InChI InChI=1S/C13H15NO2/c1-10-7-12(9-15)8-11(2)13(10)16-6-4-3-5-14/h7-9H,3-4,6H2,1-2H3
InChIKey DASOTXQZKAPVND-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 979doNTUOh7
Name 4-(4-Formyl-2,6-dimethylphenoxy)butanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.110278725 u
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-10-7-12(9-15)8-11(2)13(10)16-6-4-3-5-14/h7-9H,3-4,6H2,1-2H3
InChIKey DASOTXQZKAPVND-UHFFFAOYSA-N
Molecular Weight 217.268 g/mol
SMILES C1=C(C=C(C(=C1C)OCCCC#N)C)C=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879066