| SpectraBase Spectrum ID |
KA64Q6CWwNv |
| Name |
Cyclohexanecarboxamide, 4-methoxy-N-(2-pentyl)-N-octyl-, cis |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.313729562 u |
| Formula |
C21H41NO2 |
| InChI |
InChI=1S/C21H41NO2/c1-5-7-8-9-10-11-17-22(18(3)12-6-2)21(23)19-13-15-20(24-4)16-14-19/h18-20H,5-17H2,1-4H3 |
| InChIKey |
QCQYGCXQEXHSFU-UHFFFAOYSA-N |
| Molecular Weight |
339.564 g/mol |
| SMILES |
CCCC(N(C(=O)C1CCC(OC)CC1)CCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918856 |
