| SpectraBase Spectrum ID |
5lkmeFEQHdj |
| Name |
Cyclohexanecarboxamide, N-benzyl-N-octyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.271864750 u |
| Formula |
C22H35NO |
| InChI |
InChI=1S/C22H35NO/c1-2-3-4-5-6-13-18-23(19-20-14-9-7-10-15-20)22(24)21-16-11-8-12-17-21/h7,9-10,14-15,21H,2-6,8,11-13,16-19H2,1H3 |
| InChIKey |
ZBECWRKJBWDRBE-UHFFFAOYSA-N |
| Molecular Weight |
329.528 g/mol |
| SMILES |
C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)C1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925874 |
