SpectraBase Spectrum ID |
HLHsQKXmf4Y |
Name |
Cyclohexanecarboxamide, N-2-ethylhexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.224914557 u |
Formula |
C15H29NO |
InChI |
InChI=1S/C15H29NO/c1-3-5-9-13(4-2)12-16-15(17)14-10-7-6-8-11-14/h13-14H,3-12H2,1-2H3,(H,16,17) |
InChIKey |
MXUUZZWSNSEMJT-UHFFFAOYSA-N |
Molecular Weight |
239.403 g/mol |
SMILES |
C1C(CCCC1)C(NCC(CCCC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96172 |