| SpectraBase Spectrum ID |
7p2GLOth6eA |
| Name |
2-Chloro-6-fluorobenzyl alcohol, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.985032403 u |
| Formula |
C11H5ClF8O2 |
| InChI |
InChI=1S/C11H5ClF8O2/c12-6-2-1-3-7(13)5(6)4-22-8(21)9(14,15)10(16,17)11(18,19)20/h1-3H,4H2 |
| InChIKey |
VGEWOXNCXOMEPT-UHFFFAOYSA-N |
| Molecular Weight |
356.599 g/mol |
| SMILES |
C1(=C(C=CC=C1F)Cl)COC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932269 |
