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4-Chlorobenzamide, N-octadecyl-

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

4-Chlorobenzamide, N-octadecyl-
SpectraBase Compound ID DQzh38oTsSa
InChI InChI=1S/C25H42ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(26)21-19-23/h18-21H,2-17,22H2,1H3,(H,27,28)
InChIKey YMTRKHPWBHEVNF-UHFFFAOYSA-N
Mol Weight 408.1 g/mol
Molecular Formula C25H42ClNO
Exact Mass 407.295493 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID eyO2i8xOA5
Name 4-Chlorobenzamide, N-octadecyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 407.295492675 u
Formula C25H42ClNO
InChI InChI=1S/C25H42ClNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(26)21-19-23/h18-21H,2-17,22H2,1H3,(H,27,28)
InChIKey YMTRKHPWBHEVNF-UHFFFAOYSA-N
Molecular Weight 408.070 g/mol
SMILES C1(=CC=C(C=C1)C(NCCCCCCCCCCCCCCCCCC)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813288