| SpectraBase Spectrum ID |
C6dXTclEAmZ |
| Name |
Cyclohexanecarboxamide, N-(2-phenylethyl)-N-heptyl- |
| 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/c1-2-3-4-5-12-18-23(19-17-20-13-8-6-9-14-20)22(24)21-15-10-7-11-16-21/h6,8-9,13-14,21H,2-5,7,10-12,15-19H2,1H3 |
| InChIKey |
FSGFKUNQXZWRIN-UHFFFAOYSA-N |
| Molecular Weight |
329.528 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)C1CCCCC1)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951995 |