SpectraBase Spectrum ID |
B6x7GfehnTW |
Name |
Propionamide, 2-chloro-N-(2-pentyl)-N-octadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
429.373742997 u |
Formula |
C26H52ClNO |
InChI |
InChI=1S/C26H52ClNO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-28(24(3)22-6-2)26(29)25(4)27/h24-25H,5-23H2,1-4H3 |
InChIKey |
FGSJDSGXCLDHDJ-UHFFFAOYSA-N |
Molecular Weight |
430.161 g/mol |
SMILES |
C(N(CCCCCCCCCCCCCCCCCC)C(CCC)C)(=O)C(C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901385 |