| SpectraBase Compound ID | 2ZNf9h23yJt |
|---|---|
| InChI | InChI=1S/C12H11F3O2/c13-12(14,15)11(16)17-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2 |
| InChIKey | TXZICVWDMKFPBS-UHFFFAOYSA-N |
| Mol Weight | 244.21 g/mol |
| Molecular Formula | C12H11F3O2 |
| Exact Mass | 244.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YpZSXdggUI |
|---|---|
| Name | 5,6,7,8-Tetrahydro-1naphthol trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.071114081 u |
| Formula | C12H11F3O2 |
| InChI | InChI=1S/C12H11F3O2/c13-12(14,15)11(16)17-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2 |
| InChIKey | TXZICVWDMKFPBS-UHFFFAOYSA-N |
| Molecular Weight | 244.213 g/mol |
| SMILES | C12=C(C=CC=C2CCCC1)OC(C(F)(F)F)=O |