| SpectraBase Spectrum ID |
CGhAGcnHlV |
| Name |
Pentafluorobenzoic acid, 2,3,4,6-tetrachlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.865080885 u |
| Formula |
C13HCl4F5O2 |
| InChI |
InChI=1S/C13HCl4F5O2/c14-2-1-3(15)12(6(17)5(2)16)24-13(23)4-7(18)9(20)11(22)10(21)8(4)19/h1H |
| InChIKey |
CDGADYJJBKICNY-UHFFFAOYSA-N |
| Molecular Weight |
425.953 g/mol |
| SMILES |
C1(=C(C(Cl)=C(C(=C1)Cl)OC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820907 |
