| SpectraBase Spectrum ID |
BI6AfolnD4F |
| Name |
2-Tert-butylphenol, o-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.083570472 u |
| Formula |
C13H13F5O2 |
| InChI |
InChI=1S/C13H13F5O2/c1-11(2,3)8-6-4-5-7-9(8)20-10(19)12(14,15)13(16,17)18/h4-7H,1-3H3 |
| InChIKey |
FPEGRDZFBYLQFB-UHFFFAOYSA-N |
| Molecular Weight |
296.237 g/mol |
| SMILES |
C(C)(C)(C)C1=C(OC(C(C(F)(F)F)(F)F)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861152 |
