| SpectraBase Spectrum ID |
6Dcx4fWES75 |
| Name |
.alpha.-(Trifluoromethyl) benzyl alcohol, acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.055464017 u |
| Formula |
C10H9F3O2 |
| InChI |
InChI=1S/C10H9F3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3 |
| InChIKey |
MLUUTGMPDMTQFG-UHFFFAOYSA-N |
| Molecular Weight |
218.175 g/mol |
| SMILES |
C1=CC=CC=C1C(OC(C)=O)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967583 |
