SpectraBase Spectrum ID |
D6Ouo10mObm |
Name |
1,3-Benzenediol, o-trichloroacetyl-o'-heptafluorobutyryl- |
Comments |
Computed using HOSE algorithm |
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 |