| SpectraBase Spectrum ID |
1VvkpquumEt |
| Name |
Eicosanoic acid, 15-oxo-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
340.297745145 u |
| Formula |
C21H40O3 |
| InChI |
InChI=1S/C21H40O3/c1-3-4-14-17-20(22)18-15-12-10-8-6-5-7-9-11-13-16-19-21(23)24-2/h3-19H2,1-2H3 |
| InChIKey |
VKRXGRNTVLMTBG-UHFFFAOYSA-N |
| Molecular Weight |
340.548 g/mol |
| SMILES |
C(C(CCCCC)=O)CCCCCCCCCCCCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929716 |
