| SpectraBase Spectrum ID |
70XhRgqbJgB |
| Name |
Sebacic acid, geranyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-20(2)13-12-14-22(5)17-18-27-23(25)15-10-8-6-7-9-11-16-24(26)28-19-21(3)4/h13,17,21H,6-12,14-16,18-19H2,1-5H3/b22-17+ |
| InChIKey |
JMWDXLBOPAWUOD-OQKWZONESA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(=CCC\C(=C\COC(CCCCCCCCC(OCC(C)C)=O)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984737 |
