| SpectraBase Spectrum ID |
CMpFBQM5G1q |
| Name |
Dimethylmalonic acid, monochloride, 3-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
220.086622104 u |
| Formula |
C10H17ClO3 |
| InChI |
InChI=1S/C10H17ClO3/c1-7(2)5-6-14-9(13)10(3,4)8(11)12/h7H,5-6H2,1-4H3 |
| InChIKey |
IZBONMRVMDHJDM-UHFFFAOYSA-N |
| Molecular Weight |
220.696 g/mol |
| SMILES |
CC(CCOC(C(C(Cl)=O)(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9137 |
