| SpectraBase Compound ID | D1OOXJEGFm5 |
|---|---|
| InChI | InChI=1S/C12H17NO3/c1-9(13(2)12(15)16-3)11(14)10-7-5-4-6-8-10/h4-9,11,14H,1-3H3/t9-,11+/m1/s1 |
| InChIKey | YTZIVPFKZCQKSI-KOLCDFICSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C12H17NO3 |
| Exact Mass | 223.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5dSDC28HYQa |
|---|---|
| Name | Ephedrine mcf |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.120843408 u |
| Formula | C12H17NO3 |
| InChI | InChI=1S/C12H17NO3/c1-9(13(2)12(15)16-3)11(14)10-7-5-4-6-8-10/h4-9,11,14H,1-3H3/t9-,11+/m1/s1 |
| InChIKey | YTZIVPFKZCQKSI-KOLCDFICSA-N |
| Molecular Weight | 223.272 g/mol |
| SMILES | [C@@]([C@](N(C(OC)=O)C)(C)[H])(C1=CC=CC=C1)(O)[H] |