| SpectraBase Spectrum ID |
AlPekcwLizp |
| Name |
6-Methyl-11-oxo-undeca-5,9-dienoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.141244501 u |
| Formula |
C13H20O3 |
| InChI |
InChI=1S/C13H20O3/c1-12(8-4-3-7-11-14)9-5-6-10-13(15)16-2/h3,7,9,11H,4-6,8,10H2,1-2H3/b7-3+,12-9+ |
| InChIKey |
IYALUEOGUHTFIZ-FFEBFSGFSA-N |
| Molecular Weight |
224.300 g/mol |
| SMILES |
C(=O)(OC)CCC\C=C\(CC\C=C\C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.993549 |
