| SpectraBase Spectrum ID |
2sqbQvWStwR |
| Name |
Octadecanoic acid, 17-methoxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.297745145 u |
| Formula |
C20H40O3 |
| InChI |
InChI=1S/C20H40O3/c1-19(22-2)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20(21)23-3/h19H,4-18H2,1-3H3 |
| InChIKey |
WXDXOAIXWPGZJN-UHFFFAOYSA-N |
| Molecular Weight |
328.537 g/mol |
| SMILES |
C(C(OC)C)CCCCCCCCCCCCCCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954316 |
