| SpectraBase Compound ID | 4Usey0c869D |
|---|---|
| InChI | InChI=1S/C16H9F3O2/c17-16(18,19)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)20/h1-9H |
| InChIKey | BNHIBPUUUZUQJW-UHFFFAOYSA-N |
| Mol Weight | 290.24 g/mol |
| Molecular Formula | C16H9F3O2 |
| Exact Mass | 290.055464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 12T6sEm2JAl |
|---|---|
| Name | 3-(3-(Trifluoromethyl)phenyl)-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.055464017 u |
| Formula | C16H9F3O2 |
| InChI | InChI=1S/C16H9F3O2/c17-16(18,19)12-6-3-5-10(8-12)13-9-11-4-1-2-7-14(11)21-15(13)20/h1-9H |
| InChIKey | BNHIBPUUUZUQJW-UHFFFAOYSA-N |
| Molecular Weight | 290.241 g/mol |
| SMILES | C1=CC=C2C(=C1)OC(=O)C(C1=CC=CC(=C1)C(F)(F)F)=C2 |