| SpectraBase Spectrum ID |
4a0rJa4Pg1x |
| Name |
Diethylmalonic acid, di(4-fluoro-2-methoxyphenyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.138444748 u |
| Formula |
C21H22F2O6 |
| InChI |
InChI=1S/C21H22F2O6/c1-5-21(6-2,19(24)28-15-9-7-13(22)11-17(15)26-3)20(25)29-16-10-8-14(23)12-18(16)27-4/h7-12H,5-6H2,1-4H3 |
| InChIKey |
BQNRXXKLOKNMNX-UHFFFAOYSA-N |
| Molecular Weight |
408.398 g/mol |
| SMILES |
C(C(C(OC1=C(OC)C=C(C=C1)F)=O)(CC)CC)(OC1=CC=C(C=C1OC)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820566 |
