| SpectraBase Spectrum ID |
BtnHqDxeWl7 |
| Name |
Hexanoic acid, 2-ethyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.396730912 u |
| Formula |
C26H52O2 |
| InChI |
InChI=1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3 |
| InChIKey |
PIUVNPNBPWVVKZ-UHFFFAOYSA-N |
| Molecular Weight |
396.700 g/mol |
| SMILES |
C(OC(C(CC)CCCC)=O)CCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962691 |
