| SpectraBase Spectrum ID |
KugBk1DQ3tM |
| Name |
Diethylmalonic acid, monochloride, 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 |
262.133572298 u |
| Formula |
C13H23ClO3 |
| InChI |
InChI=1S/C13H23ClO3/c1-6-13(7-2,11(14)15)12(16)17-10(5)8-9(3)4/h9-10H,6-8H2,1-5H3 |
| InChIKey |
HTDWBWLHGHSFCP-UHFFFAOYSA-N |
| Molecular Weight |
262.777 g/mol |
| SMILES |
CCC(C(Cl)=O)(C(OC(C)CC(C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930789 |
