| SpectraBase Spectrum ID |
7SDHokjWhhi |
| Name |
2,4,4-Trimethyl-1-pentanol, trifluoroacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.118064274 u |
| Formula |
C10H17F3O2 |
| InChI |
InChI=1S/C10H17F3O2/c1-7(5-9(2,3)4)6-15-8(14)10(11,12)13/h7H,5-6H2,1-4H3 |
| InChIKey |
WNCRYYYPVXHNII-UHFFFAOYSA-N |
| Molecular Weight |
226.239 g/mol |
| SMILES |
CC(CC(COC(C(F)(F)F)=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.856102 |
