| SpectraBase Spectrum ID |
JJQ7R1NzdOr |
| Name |
3-Hydroxy-2',5'-dichlorobiphenyl, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.971132004 u |
| Formula |
C16H7Cl2F7O2 |
| InChI |
InChI=1S/C16H7Cl2F7O2/c17-9-4-5-12(18)11(7-9)8-2-1-3-10(6-8)27-13(26)14(19,20)15(21,22)16(23,24)25/h1-7H |
| InChIKey |
SWMJMZRVFGDESJ-UHFFFAOYSA-N |
| Molecular Weight |
435.125 g/mol |
| SMILES |
C1(C2=C(C=CC(=C2)Cl)Cl)=CC(=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868707 |
