| SpectraBase Spectrum ID |
3XnVy3Jd9dY |
| Name |
Octadecanoic acid, 14-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.302830526 u |
| Formula |
C20H40O2 |
| InChI |
InChI=1S/C20H40O2/c1-4-5-16-19(2)17-14-12-10-8-6-7-9-11-13-15-18-20(21)22-3/h19H,4-18H2,1-3H3 |
| InChIKey |
DFYYJXKPWJCVLX-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CCC(CCCC)C)CCCCCCCCCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868358 |
