| SpectraBase Spectrum ID |
Dhk3caq2MqE |
| Name |
Octyl cis-vaccenate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.381080848 u |
| Formula |
C26H50O2 |
| InChI |
InChI=1S/C26H50O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h12-13H,3-11,14-25H2,1-2H3/b13-12- |
| InChIKey |
QVVSPFKAVPBGRN-SEYXRHQNSA-N |
| Molecular Weight |
394.684 g/mol |
| SMILES |
C(CCCCCCCCC\C=C/CCCCCC)(=O)OCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838197 |
