| SpectraBase Compound ID | Ezk5a6LDZbg |
|---|---|
| InChI | InChI=1S/C16H13F3O2/c1-11-7-5-6-10-13(11)14(12-8-3-2-4-9-12)21-15(20)16(17,18)19/h2-10,14H,1H3 |
| InChIKey | AYRUUSLCZABTLH-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 | IMPka5VhTvP |
|---|---|
| Name | 2-Methylbenzhydrol, 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/c1-11-7-5-6-10-13(11)14(12-8-3-2-4-9-12)21-15(20)16(17,18)19/h2-10,14H,1H3 |
| InChIKey | AYRUUSLCZABTLH-UHFFFAOYSA-N |
| Molecular Weight | 294.273 g/mol |
| SMILES | C(OC(C(F)(F)F)=O)(C1=C(C)C=CC=C1)C1=CC=CC=C1 |