| SpectraBase Compound ID | 21WBjAfosGo |
|---|---|
| InChI | InChI=1S/C8H9F3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h3-4,6H,1-2,5H2 |
| InChIKey | RGLKSAODPZXZQM-UHFFFAOYSA-N |
| Mol Weight | 194.15 g/mol |
| Molecular Formula | C8H9F3O2 |
| Exact Mass | 194.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BXsTZ4J4QVG |
|---|---|
| Name | 1,5-Hexadien-3-ol, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.055464017 u |
| Formula | C8H9F3O2 |
| InChI | InChI=1S/C8H9F3O2/c1-3-5-6(4-2)13-7(12)8(9,10)11/h3-4,6H,1-2,5H2 |
| InChIKey | RGLKSAODPZXZQM-UHFFFAOYSA-N |
| Molecular Weight | 194.153 g/mol |
| SMILES | C=CC(OC(C(F)(F)F)=O)CC=C |