| SpectraBase Spectrum ID |
F9R7RFKTmsO |
| Name |
8-(2-Octanoylcyclopropyl)octanoic acid, methyl ester |
| 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/c1-3-4-5-7-11-14-19(21)18-16-17(18)13-10-8-6-9-12-15-20(22)23-2/h17-18H,3-16H2,1-2H3 |
| InChIKey |
SGVQFLSJLOASPQ-UHFFFAOYSA-N |
| Molecular Weight |
324.505 g/mol |
| SMILES |
C1C(CCCCCCCC(=O)OC)C1C(=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929096 |
