| SpectraBase Spectrum ID |
DKJOJj7aROu |
| Name |
Glutaric acid, 2,2-dichloroethyl 2-bromo-4-fluorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.928005425 u |
| Formula |
C13H12BrCl2FO4 |
| InChI |
InChI=1S/C13H12BrCl2FO4/c14-9-6-8(17)4-5-10(9)21-13(19)3-1-2-12(18)20-7-11(15)16/h4-6,11H,1-3,7H2 |
| InChIKey |
XAWSXUUBKFACPK-UHFFFAOYSA-N |
| Molecular Weight |
402.043 g/mol |
| SMILES |
C(CCC(OCC(Cl)Cl)=O)C(OC=1C(=CC(=CC1)F)Br)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933926 |
