| SpectraBase Spectrum ID |
6ZBvjrqI7D5 |
| Name |
4-Fluoro-.alpha.-methylbenzyl alcohol, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.046042148 u |
| Formula |
C10H8F4O2 |
| InChI |
InChI=1S/C10H8F4O2/c1-6(16-9(15)10(12,13)14)7-2-4-8(11)5-3-7/h2-6H,1H3 |
| InChIKey |
CHHVQZDESXKWFU-UHFFFAOYSA-N |
| Molecular Weight |
236.166 g/mol |
| SMILES |
C1(=CC=C(C=C1)F)C(OC(C(F)(F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855774 |
