| SpectraBase Spectrum ID |
5sX7oT25vMU |
| Name |
Hexanoic acid, 2-ethyl-, dodecyl 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/c1-4-7-9-10-11-12-13-14-15-16-18-22-20(21)19(6-3)17-8-5-2/h19H,4-18H2,1-3H3 |
| InChIKey |
YLKDIPABJFXZRY-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CCCCCCCCCC)COC(=O)C(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973635 |
