| SpectraBase Spectrum ID |
F05dUH675su |
| Name |
4-Fluorobenzyl alcohol, chlorodifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.000841620 u |
| Formula |
C9H6ClF3O2 |
| InChI |
InChI=1S/C9H6ClF3O2/c10-9(12,13)8(14)15-5-6-1-3-7(11)4-2-6/h1-4H,5H2 |
| InChIKey |
KANJPFDWMIZWTK-UHFFFAOYSA-N |
| Molecular Weight |
238.593 g/mol |
| SMILES |
C1=CC(=CC=C1COC(C(F)(F)Cl)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905647 |
