| SpectraBase Compound ID | 6CngKvlzyYk |
|---|---|
| InChI | InChI=1S/C14H14F3NO/c1-3-9-18(13(19)14(15,16)17)11(2)10-12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3 |
| InChIKey | PVNYUAINTVGLJJ-UHFFFAOYSA-N |
| Mol Weight | 269.27 g/mol |
| Molecular Formula | C14H14F3NO |
| Exact Mass | 269.102749 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GZQMJJWv8a5 |
|---|---|
| Name | (.+/-.)-N-desmethylselegiline, N-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.102748563 u |
| Formula | C14H14F3NO |
| InChI | InChI=1S/C14H14F3NO/c1-3-9-18(13(19)14(15,16)17)11(2)10-12-7-5-4-6-8-12/h1,4-8,11H,9-10H2,2H3 |
| InChIKey | PVNYUAINTVGLJJ-UHFFFAOYSA-N |
| Molecular Weight | 269.267 g/mol |
| SMILES | C1(=CC=CC=C1)CC(N(CC#C)C(C(F)(F)F)=O)C |