SpectraBase Spectrum ID |
IbIAGlovECs |
Name |
N-Cyclohexylthio-1-piperidinecarboxamide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
226.150369890 u |
Formula |
C12H22N2S |
InChI |
InChI=1S/C12H22N2S/c15-12(14-9-5-2-6-10-14)13-11-7-3-1-4-8-11/h11H,1-10H2,(H,13,15) |
InChIKey |
JOYWQNWRWYXSCW-UHFFFAOYSA-N |
Molecular Weight |
226.382 g/mol |
SMILES |
C1CCCN(C1)C(=S)NC1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954139 |