| SpectraBase Spectrum ID |
6hNoXCZCIQg |
| Name |
(E)-3,7-Dimethylocta-2,6-dien-1-yl stearate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.396730912 u |
| Formula |
C28H52O2 |
| InChI |
InChI=1S/C28H52O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28(29)30-25-24-27(4)22-20-21-26(2)3/h21,24H,5-20,22-23,25H2,1-4H3/b27-24+ |
| InChIKey |
ILBHDXCOZDEXGP-SOYKGTTHSA-N |
| Molecular Weight |
420.722 g/mol |
| SMILES |
C(CCCCCCCCCCCCCCCCC)(=O)OC\C=C\(CCC=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943321 |
