SpectraBase Spectrum ID |
DPpDwJpEf10 |
Name |
Valeramide, 5-chloro-N-propyl-N-(2-ethylhexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.217242353 u |
Formula |
C16H32ClNO |
InChI |
InChI=1S/C16H32ClNO/c1-4-7-10-15(6-3)14-18(13-5-2)16(19)11-8-9-12-17/h15H,4-14H2,1-3H3 |
InChIKey |
PTJHQJUCCJEVAF-UHFFFAOYSA-N |
Molecular Weight |
289.891 g/mol |
SMILES |
C(N(CCC)CC(CCCC)CC)(=O)CCCCCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890828 |