| SpectraBase Spectrum ID |
LFH8IE4akyZ |
| Name |
12-Ethyl-8-(5'-methyl-2'-oxa-1'-hexyl)-4,7,10-trioxa-1-hexadecene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.308309828 u |
| Formula |
C21H42O4 |
| InChI |
InChI=1S/C21H42O4/c1-6-9-20(8-3)17-23-14-11-21(18-24-13-10-19(4)5)25-16-15-22-12-7-2/h7,19-21H,2,6,8-18H2,1,3-5H3 |
| InChIKey |
UQFJIIBMCVRKRR-UHFFFAOYSA-N |
| Molecular Weight |
358.563 g/mol |
| SMILES |
C(=C)COCCOC(CCOCC(CC)CCC)COCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966819 |
