| SpectraBase Spectrum ID |
LlQ6T7oxGpo |
| Name |
2-(Ethoxycarbonyl)-2-methylcyclohexadecanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.266445016 u |
| Formula |
C20H36O3 |
| InChI |
InChI=1S/C20H36O3/c1-3-23-19(22)20(2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18(20)21/h3-17H2,1-2H3 |
| InChIKey |
FFEJJVMARHOKAZ-UHFFFAOYSA-N |
| Molecular Weight |
324.505 g/mol |
| SMILES |
C1(C(CCCCCCCCCCCCCC1)(C)C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94631 |
