| SpectraBase Spectrum ID |
FzV0wtKyoUj |
| Name |
Sebacic acid, geranyl isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.339609957 u |
| Formula |
C26H46O4 |
| InChI |
InChI=1S/C26H46O4/c1-22(2)14-12-16-24(5)19-21-30-26(28)18-11-9-7-6-8-10-17-25(27)29-20-13-15-23(3)4/h14,19,23H,6-13,15-18,20-21H2,1-5H3/b24-19+ |
| InChIKey |
SJAHAIHZFVSTDM-LYBHJNIJSA-N |
| Molecular Weight |
422.650 g/mol |
| SMILES |
C(=CCC\C(=C\COC(CCCCCCCCC(OCCCC(C)C)=O)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946929 |
