| SpectraBase Spectrum ID |
1kRi7J7HOoY |
| Name |
2-Undecenoic acid, 2-methyl-3-octyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-5-7-9-11-13-15-17-20(19(3)21(22)23-4)18-16-14-12-10-8-6-2/h5-18H2,1-4H3 |
| InChIKey |
ZXZWZMALTPFELF-UHFFFAOYSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(C(=O)OC)(=C(CCCCCCCC)CCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961891 |
