| SpectraBase Spectrum ID |
LoOMFTwSCt0 |
| Name |
Hexadecanoic acid, 2-propyl-, 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/c1-4-6-7-8-9-10-11-12-13-14-15-16-18-19(17-5-2)20(21)22-3/h19H,4-18H2,1-3H3 |
| InChIKey |
CEQFOPGJYSVALV-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CCCCCC(C(=O)OC)CCC)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866538 |
