| SpectraBase Spectrum ID |
3AInfT7JxDw |
| Name |
2-Chloro-6-(trifluoromethyl)benzyl alcohol, ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.016491685 u |
| Formula |
C10H8ClF3O2 |
| InChI |
InChI=1S/C10H8ClF3O2/c1-6(15)16-5-7-8(10(12,13)14)3-2-4-9(7)11/h2-4H,5H2,1H3 |
| InChIKey |
YUHUAGVOUSLLRK-UHFFFAOYSA-N |
| Molecular Weight |
252.620 g/mol |
| SMILES |
C(F)(F)(F)C1=C(C(=CC=C1)Cl)COC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94671 |
