| SpectraBase Spectrum ID |
LyPAKeN4Orv |
| Name |
cis-2-Piperidin-1-ylcyclohexanecarbothioic acid benzylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.197320084 u |
| Formula |
C19H28N2S |
| InChI |
InChI=1S/C19H28N2S/c22-19(20-15-16-9-3-1-4-10-16)17-11-5-6-12-18(17)21-13-7-2-8-14-21/h1,3-4,9-10,17-18H,2,5-8,11-15H2,(H,20,22)/t17-,18+/m1/s1 |
| InChIKey |
QBYSZTXFWAOUHB-MSOLQXFVSA-N |
| Molecular Weight |
316.507 g/mol |
| SMILES |
[C@@]1(C(NCC=2C=CC=CC2)=S)([C@@](N2CCCCC2)(CCCC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944738 |
