| SpectraBase Compound ID | 3O1QHzWzMo9 |
|---|---|
| InChI | InChI=1S/C17H14F5NO/c18-16(19,17(20,21)22)15(24)23-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24) |
| InChIKey | BAEQJKKNIPVGOI-UHFFFAOYSA-N |
| Mol Weight | 343.3 g/mol |
| Molecular Formula | C17H14F5NO |
| Exact Mass | 343.099555 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ongCfo8CMr |
|---|---|
| Name | Lefetamine-m (bis-nor-) P1173 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.099554889 u |
| Formula | C17H14F5NO |
| InChI | InChI=1S/C17H14F5NO/c18-16(19,17(20,21)22)15(24)23-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,23,24) |
| InChIKey | BAEQJKKNIPVGOI-UHFFFAOYSA-N |
| Molecular Weight | 343.297 g/mol |
| SMILES | C=1C=CC(C(NC(C(C(F)(F)F)(F)F)=O)CC2=CC=CC=C2)=CC1 |