| SpectraBase Compound ID | 3o3PBW7ofuN |
|---|---|
| InChI | InChI=1S/C17H21NO/c1-14(18-2)17(16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3 |
| InChIKey | PSMVWPRPCJHGOW-UHFFFAOYSA-N |
| Mol Weight | 255.36 g/mol |
| Molecular Formula | C17H21NO |
| Exact Mass | 255.162314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3RJIFKqsIPx |
|---|---|
| Name | Benzylephedrine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.162314299 u |
| Formula | C17H21NO |
| InChI | InChI=1S/C17H21NO/c1-14(18-2)17(16-11-7-4-8-12-16)19-13-15-9-5-3-6-10-15/h3-12,14,17-18H,13H2,1-2H3 |
| InChIKey | PSMVWPRPCJHGOW-UHFFFAOYSA-N |
| Molecular Weight | 255.361 g/mol |
| Nominal Mass | 255 u |
| SMILES | C1=CC(=CC=C1)C(C(C)NC)OCC1=CC=CC=C1 |