| SpectraBase Spectrum ID |
2vpkzP43x0B |
| Name |
1,3-Benzenediol, o-dichloroacetyl-o'-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.945311178 u |
| Formula |
C12H5Cl2F7O4 |
| InChI |
InChI=1S/C12H5Cl2F7O4/c13-7(14)8(22)24-5-2-1-3-6(4-5)25-9(23)10(15,16)11(17,18)12(19,20)21/h1-4,7H |
| InChIKey |
IXMLUIZKSSSSAJ-UHFFFAOYSA-N |
| Molecular Weight |
417.063 g/mol |
| SMILES |
C1(=CC(=CC=C1)OC(C(Cl)Cl)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956186 |
