| SpectraBase Spectrum ID |
5GYDA342iMj |
| Name |
Cyclohexanecarboxamide, 4-methoxy-N-(2-pentyl)-N-heptyl-, cis |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.298079498 u |
| Formula |
C20H39NO2 |
| InChI |
InChI=1S/C20H39NO2/c1-5-7-8-9-10-16-21(17(3)11-6-2)20(22)18-12-14-19(23-4)15-13-18/h17-19H,5-16H2,1-4H3 |
| InChIKey |
SOTOUSQTIXKNQY-UHFFFAOYSA-N |
| Molecular Weight |
325.537 g/mol |
| SMILES |
CCCC(N(C(=O)C1CCC(OC)CC1)CCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964518 |
