| SpectraBase Spectrum ID |
BLiM6quAIGk |
| Name |
2-Hydroxy-2',4',6'-trichlorobiphenyl, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.932159672 u |
| Formula |
C16H6Cl3F7O2 |
| InChI |
InChI=1S/C16H6Cl3F7O2/c17-7-5-9(18)12(10(19)6-7)8-3-1-2-4-11(8)28-13(27)14(20,21)15(22,23)16(24,25)26/h1-6H |
| InChIKey |
ZAIVLZHGMBKGCV-UHFFFAOYSA-N |
| Molecular Weight |
469.570 g/mol |
| SMILES |
C1(C2=C(C=C(C=C2Cl)Cl)Cl)=C(C=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862379 |
