| SpectraBase Spectrum ID |
DgKKt4HlDEH |
| Name |
Dimethylmalonic acid, isohexyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-7-9-13-16(11-8-2)23-18(21)19(5,6)17(20)22-14-10-12-15(3)4/h15-16H,7-14H2,1-6H3 |
| InChIKey |
XTAJKZCWQUWQFK-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
CCCC(OC(=O)C(C)(C)C(OCCCC(C)C)=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.858801 |
