| SpectraBase Spectrum ID |
IBPMUGlcvoo |
| Name |
Methyl 2,3-dihydroxyeicosanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.308309828 u |
| Formula |
C21H42O4 |
| InChI |
InChI=1S/C21H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(22)20(23)21(24)25-2/h19-20,22-23H,3-18H2,1-2H3 |
| InChIKey |
VZCUAXSCXIQAPA-UHFFFAOYSA-N |
| Molecular Weight |
358.563 g/mol |
| SMILES |
C(C(=O)OC)(C(O)CCCCCCCCCCCCCCCCC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856281 |
