| SpectraBase Spectrum ID |
2vKOevcZbgt |
| Name |
Sebacic acid, di(trans-3-hexenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h5-8H,3-4,9-20H2,1-2H3/b7-5+,8-6+ |
| InChIKey |
OVBNTYMBVVPECU-KQQUZDAGSA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
CC\C=C\CCOC(CCCCCCCCC(OCC\C=C\CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.985883 |
