| SpectraBase Spectrum ID |
4pLU68vDW78 |
| Name |
1,3-Benzenediol, o-trichloroacetyl-o'-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.906338846 u |
| Formula |
C12H4Cl3F7O4 |
| InChI |
InChI=1S/C12H4Cl3F7O4/c13-10(14,15)8(24)26-6-3-1-2-5(4-6)25-7(23)9(16,17)11(18,19)12(20,21)22/h1-4H |
| InChIKey |
XDQXHUFHLAMLBI-UHFFFAOYSA-N |
| Molecular Weight |
451.508 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C(Cl)(Cl)Cl)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969552 |
