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5-Chlorovaleryl amide, N-(2-phenylethyl)-N-octyl-

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

5-Chlorovaleryl amide, N-(2-phenylethyl)-N-octyl-
SpectraBase Compound ID HXFHuTjvN4V
InChI InChI=1S/C21H34ClNO/c1-2-3-4-5-6-12-18-23(21(24)15-10-11-17-22)19-16-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3
InChIKey XTWDSOVONZPUAO-UHFFFAOYSA-N
Mol Weight 352.0 g/mol
Molecular Formula C21H34ClNO
Exact Mass 351.232892 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 716CG86FvdL
Name 5-Chlorovaleryl amide, N-(2-phenylethyl)-N-octyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.232892418 u
Formula C21H34ClNO
InChI InChI=1S/C21H34ClNO/c1-2-3-4-5-6-12-18-23(21(24)15-10-11-17-22)19-16-20-13-8-7-9-14-20/h7-9,13-14H,2-6,10-12,15-19H2,1H3
InChIKey XTWDSOVONZPUAO-UHFFFAOYSA-N
Molecular Weight 351.962 g/mol
SMILES C1=CC=C(C=C1)CCN(C(CCCCCl)=O)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.932235