| SpectraBase Spectrum ID |
C9tgR3K9LCK |
| Name |
Diethylmalonic acid, monochloride, 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 |
306.022577839 u |
| Formula |
C13H13Cl2FO3 |
| InChI |
InChI=1S/C13H13Cl2FO3/c1-3-13(4-2,11(15)17)12(18)19-10-8(14)6-5-7-9(10)16/h5-7H,3-4H2,1-2H3 |
| InChIKey |
VFEWYRDECGUHDX-UHFFFAOYSA-N |
| Molecular Weight |
307.148 g/mol |
| SMILES |
CCC(C(Cl)=O)(C(OC1=C(C=CC=C1Cl)F)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899436 |
