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4-(2-Aminoethoxy)benzonitrile, N-acetyl-

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

4-(2-Aminoethoxy)benzonitrile, N-acetyl-
SpectraBase Compound ID CJ026mfzZmz
InChI InChI=1S/C11H12N2O2/c1-9(14)13-6-7-15-11-4-2-10(8-12)3-5-11/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey HPAKCGISTBBQIQ-UHFFFAOYSA-N
Mol Weight 204.23 g/mol
Molecular Formula C11H12N2O2
Exact Mass 204.089878 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DxBwUtLPPj6
Name 4-(2-Aminoethoxy)benzonitrile, N-acetyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.089877632 u
Formula C11H12N2O2
InChI InChI=1S/C11H12N2O2/c1-9(14)13-6-7-15-11-4-2-10(8-12)3-5-11/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey HPAKCGISTBBQIQ-UHFFFAOYSA-N
Molecular Weight 204.229 g/mol
SMILES C(NC(=O)C)COC1=CC=C(C=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967762