| SpectraBase Compound ID | 28Ar75d5AHN |
|---|---|
| InChI | InChI=1S/C13H19NO2/c1-10(14(3)4)13(16-11(2)15)12-8-6-5-7-9-12/h5-10,13H,1-4H3 |
| InChIKey | XNIFRGZNYHNEGE-UHFFFAOYSA-N |
| Mol Weight | 221.3 g/mol |
| Molecular Formula | C13H19NO2 |
| Exact Mass | 221.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18CMALUy8pr |
|---|---|
| Name | Methylephedrine ac @P475 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.141578854 u |
| Formula | C13H19NO2 |
| InChI | InChI=1S/C13H19NO2/c1-10(14(3)4)13(16-11(2)15)12-8-6-5-7-9-12/h5-10,13H,1-4H3 |
| InChIKey | XNIFRGZNYHNEGE-UHFFFAOYSA-N |
| Molecular Weight | 221.300 g/mol |
| SMILES | C=1C(=CC=CC1)C(C(N(C)C)C)OC(C)=O |