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N-[2-(2-chlorophenyl)-1-cyano-ethyl]acetamide

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

N-[2-(2-chlorophenyl)-1-cyano-ethyl]acetamide
SpectraBase Compound ID I5a39qbMuWK
InChI InChI=1S/C11H11ClN2O/c1-8(15)14-10(7-13)6-9-4-2-3-5-11(9)12/h2-5,10H,6H2,1H3,(H,14,15)
InChIKey SFGIVYNYNNHPDD-UHFFFAOYSA-N
Mol Weight 222.67 g/mol
Molecular Formula C11H11ClN2O
Exact Mass 222.055991 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 70FG6eYrl69
Name N-[2-(2-Chlorophenyl)-1-cyano-ethyl]acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.055990681 u
Formula C11H11ClN2O
InChI InChI=1S/C11H11ClN2O/c1-8(15)14-10(7-13)6-9-4-2-3-5-11(9)12/h2-5,10H,6H2,1H3,(H,14,15)
InChIKey SFGIVYNYNNHPDD-UHFFFAOYSA-N
Molecular Weight 222.675 g/mol
SMILES C(#N)C(NC(=O)C)CC=1C(Cl)=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.949248