| SpectraBase Spectrum ID |
CSAut6EPCWl |
| Name |
Malonic acid, isobutyl 4-methylpent-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.167459249 u |
| Formula |
C13H24O4 |
| InChI |
InChI=1S/C13H24O4/c1-9(2)6-11(5)17-13(15)7-12(14)16-8-10(3)4/h9-11H,6-8H2,1-5H3 |
| InChIKey |
JLCFGOHNNGILFF-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
C(OC(C)CC(C)C)(CC(OCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989343 |
