| SpectraBase Spectrum ID |
nBbGvwUj3Q |
| Name |
Sebacic acid, dec-4-enyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-3-5-7-8-9-12-15-19-23-29-25(27)21-17-14-11-10-13-16-20-24(26)28-22-18-6-4-2/h9,12H,3-8,10-11,13-23H2,1-2H3/b12-9+ |
| InChIKey |
XFLOKNYQGFFTTG-FMIVXFBMSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(\C=C\CCCCC)CCOC(CCCCCCCCC(OCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.814606 |
