| SpectraBase Spectrum ID |
KfIHUPZkIUS |
| Name |
Dimethylmalonic acid, di(2-chloro-6-fluorophenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.008070588 u |
| Formula |
C17H12Cl2F2O4 |
| InChI |
InChI=1S/C17H12Cl2F2O4/c1-17(2,15(22)24-13-9(18)5-3-7-11(13)20)16(23)25-14-10(19)6-4-8-12(14)21/h3-8H,1-2H3 |
| InChIKey |
SPBYYSCSYSLWKH-UHFFFAOYSA-N |
| Molecular Weight |
389.182 g/mol |
| SMILES |
C1=CC=C(C(=C1Cl)OC(=O)C(C)(C)C(=O)OC1=C(C=CC=C1F)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945306 |
