| SpectraBase Compound ID | AqDZH1etDv6 |
|---|---|
| InChI | InChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2 |
| InChIKey | DNADUOFVCXTXOW-UHFFFAOYSA-N |
| Mol Weight | 230.19 g/mol |
| Molecular Formula | C11H9F3O2 |
| Exact Mass | 230.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aIMrJHHGJR |
|---|---|
| Name | 5-Indanol trifluoroacetate ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.055464017 u |
| Formula | C11H9F3O2 |
| InChI | InChI=1S/C11H9F3O2/c12-11(13,14)10(15)16-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2 |
| InChIKey | DNADUOFVCXTXOW-UHFFFAOYSA-N |
| Molecular Weight | 230.186 g/mol |
| SMILES | C12=CC=C(C=C2CCC1)OC(C(F)(F)F)=O |