| SpectraBase Compound ID | 37IbtYrvYEh |
|---|---|
| InChI | InChI=1S/C13H17NO/c1-4-9-14(3)11(2)10-12-5-7-13(15)8-6-12/h1,5-8,11,15H,9-10H2,2-3H3 |
| InChIKey | OGAFCBVCSLGRNP-UHFFFAOYSA-N |
| Mol Weight | 203.28 g/mol |
| Molecular Formula | C13H17NO |
| Exact Mass | 203.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ASIQnTsuItS |
|---|---|
| Name | Selegiline-m (ho-) P407 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.131014170 u |
| Formula | C13H17NO |
| InChI | InChI=1S/C13H17NO/c1-4-9-14(3)11(2)10-12-5-7-13(15)8-6-12/h1,5-8,11,15H,9-10H2,2-3H3 |
| InChIKey | OGAFCBVCSLGRNP-UHFFFAOYSA-N |
| Molecular Weight | 203.285 g/mol |
| SMILES | C=1C(=CC=C(C1)O)CC(C)N(CC#C)C |