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N-[4'-(2''-Chlorophenyl)butyl]-acetamide

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

N-[4'-(2''-Chlorophenyl)butyl]-acetamide
SpectraBase Compound ID 1Vlqwuz4Og6
InChI InChI=1S/C12H16ClNO/c1-10(15)14-9-5-4-7-11-6-2-3-8-12(11)13/h2-3,6,8H,4-5,7,9H2,1H3,(H,14,15)
InChIKey QIHVLXVLSJTLMS-UHFFFAOYSA-N
Mol Weight 225.72 g/mol
Molecular Formula C12H16ClNO
Exact Mass 225.092042 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BR3sG03smw5
Name N-[4'-(2''-Chlorophenyl)butyl]-acetamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.092041838 u
Formula C12H16ClNO
InChI InChI=1S/C12H16ClNO/c1-10(15)14-9-5-4-7-11-6-2-3-8-12(11)13/h2-3,6,8H,4-5,7,9H2,1H3,(H,14,15)
InChIKey QIHVLXVLSJTLMS-UHFFFAOYSA-N
Molecular Weight 225.719 g/mol
SMILES C(=O)(NCCCCC=1C(Cl)=CC=CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.917464