| SpectraBase Spectrum ID |
BQft3cRmTWT |
| Name |
Sebacic acid, oct-3-en-2-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-4-6-8-13-17-21(3)27-23(25)19-15-12-10-9-11-14-18-22(24)26-20-16-7-5-2/h13,17,21H,4-12,14-16,18-20H2,1-3H3/b17-13+ |
| InChIKey |
CNENKBPJYBVRCR-GHRIWEEISA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(\C=C\CCCC)(OC(CCCCCCCCC(OCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879666 |
