| SpectraBase Spectrum ID |
IsG9zOddwzx |
| Name |
Sebacic acid, geranyl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-5-6-13-20-28-24(26)17-11-9-7-8-10-12-18-25(27)29-21-19-23(4)16-14-15-22(2)3/h15,19H,5-14,16-18,20-21H2,1-4H3/b23-19+ |
| InChIKey |
UVEHGSUFXDGKEJ-FCDQGJHFSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C(=CCC\C(=C\COC(CCCCCCCCC(OCCCCC)=O)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942361 |
