| SpectraBase Compound ID | 4svqF0m3mir |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)15(20)21-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-2,4,6,8-9,13H,3,5,7H2 |
| InChIKey | DNZAMJKFSGMULF-UHFFFAOYSA-N |
| Mol Weight | 294.27 g/mol |
| Molecular Formula | C16H13F3O2 |
| Exact Mass | 294.086764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Cq54D5BSi0i |
|---|---|
| Name | 4-Hydroxy-1,2,3,4-tetrahydrophenanthrene, trifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.086764146 u |
| Formula | C16H13F3O2 |
| InChI | InChI=1S/C16H13F3O2/c17-16(18,19)15(20)21-13-7-3-5-11-9-8-10-4-1-2-6-12(10)14(11)13/h1-2,4,6,8-9,13H,3,5,7H2 |
| InChIKey | DNZAMJKFSGMULF-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C12=CC=C3C(=C2C=CC=C1)C(CCC3)OC(C(F)(F)F)=O |