| SpectraBase Spectrum ID |
AI8I2pdJWHS |
| Name |
5-Hydroxy-6,6,6-trifluorohexanoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.081678765 u |
| Formula |
C8H13F3O3 |
| InChI |
InChI=1S/C8H13F3O3/c1-2-14-7(13)5-3-4-6(12)8(9,10)11/h6,12H,2-5H2,1H3 |
| InChIKey |
LTUDZHWBWPFRFO-UHFFFAOYSA-N |
| Molecular Weight |
214.184 g/mol |
| SMILES |
C(O)(C(F)(F)F)CCCC(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986328 |
