| SpectraBase Spectrum ID |
FkE7cie7nrZ |
| Name |
1,2-Benzenediol, o-(2-chlorobenzoyl)-o'-(2,2,3,3,4,4,4-heptafluorobutyryl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
443.999933575 u |
| Formula |
C17H8ClF7O4 |
| InChI |
InChI=1S/C17H8ClF7O4/c18-10-6-2-1-5-9(10)13(26)28-11-7-3-4-8-12(11)29-14(27)15(19,20)16(21,22)17(23,24)25/h1-8H |
| InChIKey |
GZADWMKBRZQTOI-UHFFFAOYSA-N |
| Molecular Weight |
444.689 g/mol |
| SMILES |
C1=CC(Cl)=C(C=C1)C(OC1=CC=CC=C1OC(C(F)(C(C(F)(F)F)(F)F)F)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962935 |
