| SpectraBase Compound ID | 5soTHe6J4ZM |
|---|---|
| InChI | InChI=1S/C12H14F3NO2/c1-8(16(2)11(18)12(13,14)15)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3 |
| InChIKey | CBVGKNXELWBCIN-UHFFFAOYSA-N |
| Mol Weight | 261.24 g/mol |
| Molecular Formula | C12H14F3NO2 |
| Exact Mass | 261.097663 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj6KuYuMNP9 |
|---|---|
| Name | Pholedrine tfa @P662 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.097663182 u |
| Formula | C12H14F3NO2 |
| InChI | InChI=1S/C12H14F3NO2/c1-8(16(2)11(18)12(13,14)15)7-9-3-5-10(17)6-4-9/h3-6,8,17H,7H2,1-2H3 |
| InChIKey | CBVGKNXELWBCIN-UHFFFAOYSA-N |
| Molecular Weight | 261.244 g/mol |
| SMILES | C=1C=C(CC(C)N(C(=O)C(F)(F)F)C)C=CC1O |