| SpectraBase Spectrum ID |
E2YlTXT1y4Q |
| Name |
Diethylmalonic acid, isobutyl 2-methylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.230059506 u |
| Formula |
C17H32O4 |
| InChI |
InChI=1S/C17H32O4/c1-7-10-14(6)12-21-16(19)17(8-2,9-3)15(18)20-11-13(4)5/h13-14H,7-12H2,1-6H3 |
| InChIKey |
HHHXQGFRNOAWSK-UHFFFAOYSA-N |
| SMILES |
CCC(C(OCC(C)C)=O)(C(OCC(CCC)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967169 |
