| SpectraBase Spectrum ID |
AhNfn5TTBzt |
| Name |
Tetradecanoic acid, hexyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-18-20(21)22-19-17-8-6-4-2/h3-19H2,1-2H3 |
| InChIKey |
JIFCVUWJQMDNTN-UHFFFAOYSA-N |
| Molecular Weight |
312.538 g/mol |
| SMILES |
C(CCC(OCCCCCC)=O)CCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904577 |
