| SpectraBase Spectrum ID |
CAOXniavG7t |
| Name |
Pentanoic acid, 2,2-dimethyl-, 1,2,3-propanetriyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
428.313789131 u |
| Formula |
C24H44O6 |
| InChI |
InChI=1S/C24H44O6/c1-10-13-22(4,5)19(25)28-16-18(30-21(27)24(8,9)15-12-3)17-29-20(26)23(6,7)14-11-2/h18H,10-17H2,1-9H3 |
| InChIKey |
GQKGEJNIGZBGHF-UHFFFAOYSA-N |
| Molecular Weight |
428.610 g/mol |
| SMILES |
C(OC(C(CCC)(C)C)=O)(COC(C(CCC)(C)C)=O)COC(C(CCC)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942396 |
