| SpectraBase Compound ID | EpNA2bDnMrJ |
|---|---|
| InChI | InChI=1S/C16H19NO3/c1-5-10-17(13(3)18)12(2)11-15-6-8-16(9-7-15)20-14(4)19/h1,6-9,12H,10-11H2,2-4H3 |
| InChIKey | HHMIVFSHIFYFTM-UHFFFAOYSA-N |
| Mol Weight | 273.33 g/mol |
| Molecular Formula | C16H19NO3 |
| Exact Mass | 273.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90OqMHYnRLv |
|---|---|
| Name | Selegiline-m (nor-ho-) 2ac P734 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.136493473 u |
| Formula | C16H19NO3 |
| InChI | InChI=1S/C16H19NO3/c1-5-10-17(13(3)18)12(2)11-15-6-8-16(9-7-15)20-14(4)19/h1,6-9,12H,10-11H2,2-4H3 |
| InChIKey | HHMIVFSHIFYFTM-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1CC(C)N(C(C)=O)CC#C)OC(C)=O |