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Acetamide, N-(4-cyanomethylphenyl)-2-(4-cyanophenoxy)-

View entire compound with spectra: 1 NMR, and 1 FTIR

Acetamide, N-(4-cyanomethylphenyl)-2-(4-cyanophenoxy)-
SpectraBase Compound ID 9bngc7a2p5m
InChI InChI=1S/C17H13N3O2/c18-10-9-13-1-5-15(6-2-13)20-17(21)12-22-16-7-3-14(11-19)4-8-16/h1-8H,9,12H2,(H,20,21)
InChIKey LDTKYAHZPNSZHX-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C17H13N3O2
Exact Mass 291.100777 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3rGRlDGoCGG
Name Acetamide, N-(4-cyanomethylphenyl)-2-(4-cyanophenoxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.100776669 u
Formula C17H13N3O2
InChI InChI=1S/C17H13N3O2/c18-10-9-13-1-5-15(6-2-13)20-17(21)12-22-16-7-3-14(11-19)4-8-16/h1-8H,9,12H2,(H,20,21)
InChIKey LDTKYAHZPNSZHX-UHFFFAOYSA-N
SMILES C(C#N)C1=CC=C(NC(COC2=CC=C(C#N)C=C2)=O)C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.946303