SpectraBase Spectrum ID |
CmuH1NtizrP |
Name |
Valeramide, 5-chloro-N-(5-chlorovaleryl)-N-pentyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
323.141884511 u |
Formula |
C15H27Cl2NO2 |
InChI |
InChI=1S/C15H27Cl2NO2/c1-2-3-8-13-18(14(19)9-4-6-11-16)15(20)10-5-7-12-17/h2-13H2,1H3 |
InChIKey |
FTOGHIHQBDTCHH-UHFFFAOYSA-N |
Molecular Weight |
324.292 g/mol |
SMILES |
C(N(CCCCC)C(=O)CCCCCl)(=O)CCCCCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918082 |