SpectraBase Spectrum ID |
IVvlOA7llGj |
Name |
Cyclohexanecarboxamide, N-hept-2-yl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
225.209264492 u |
Formula |
C14H27NO |
InChI |
InChI=1S/C14H27NO/c1-3-4-6-9-12(2)15-14(16)13-10-7-5-8-11-13/h12-13H,3-11H2,1-2H3,(H,15,16) |
InChIKey |
JFPMCOSXRYCCCS-UHFFFAOYSA-N |
Molecular Weight |
225.376 g/mol |
SMILES |
C1C(CCCC1)C(NC(CCCCC)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975549 |