| SpectraBase Spectrum ID |
LErbQ9tUXhT |
| Name |
Sebacic acid, 2,4-dimethylpent-3-yl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.292659764 u |
| Formula |
C21H40O4 |
| InChI |
InChI=1S/C21H40O4/c1-16(2)15-24-19(22)13-11-9-7-8-10-12-14-20(23)25-21(17(3)4)18(5)6/h16-18,21H,7-15H2,1-6H3 |
| InChIKey |
IGBMTVOWDIDJSZ-UHFFFAOYSA-N |
| Molecular Weight |
356.547 g/mol |
| SMILES |
C(CCCCC(OC(C(C)C)C(C)C)=O)CCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959588 |
