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N-[2-(4-chlorophenyl)-1-cyano-ethyl]acetamide

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

N-[2-(4-chlorophenyl)-1-cyano-ethyl]acetamide
SpectraBase Compound ID 33N3XvAkTTj
InChI InChI=1S/C11H11ClN2O/c1-8(15)14-11(7-13)6-9-2-4-10(12)5-3-9/h2-5,11H,6H2,1H3,(H,14,15)
InChIKey KIMQYVKFWOTIMV-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 Do2bF4QIlwK
Name N-[2-(4-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)14-11(7-13)6-9-2-4-10(12)5-3-9/h2-5,11H,6H2,1H3,(H,14,15)
InChIKey KIMQYVKFWOTIMV-UHFFFAOYSA-N
Molecular Weight 222.675 g/mol
SMILES C(#N)C(NC(=O)C)CC1=CC=C(C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90566