| SpectraBase Spectrum ID |
1NyPBxdNIFn |
| Name |
Malonic acid, 3,3-dimethylbut-2-yl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.136159120 u |
| Formula |
C11H20O4 |
| InChI |
InChI=1S/C11H20O4/c1-6-14-9(12)7-10(13)15-8(2)11(3,4)5/h8H,6-7H2,1-5H3 |
| InChIKey |
UCTIJVLVEFMFNK-UHFFFAOYSA-N |
| Molecular Weight |
216.277 g/mol |
| SMILES |
C(CC(OC(C(C)(C)C)C)=O)(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969348 |
