| SpectraBase Spectrum ID |
CE2kHMkx1zq |
| Name |
1,1,1-Trichloro-2-methylpropan-2-ol, o-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.938547020 u |
| Formula |
C6H6Cl3F3O2 |
| InChI |
InChI=1S/C6H6Cl3F3O2/c1-4(2,6(7,8)9)14-3(13)5(10,11)12/h1-2H3 |
| InChIKey |
OKLCHBHCSFXJMM-UHFFFAOYSA-N |
| Molecular Weight |
273.466 g/mol |
| SMILES |
C(C(C)(OC(=O)C(F)(F)F)C)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972504 |
