| SpectraBase Compound ID | 56w9IhFkLFa |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-4-11(13-3)12(14)10-7-5-6-9(2)8-10/h5-8,11,13H,4H2,1-3H3 |
| InChIKey | XTCTXCSGKAZSKT-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IEuU8FQdsk4 |
|---|---|
| Name | 3-Methylbuphedrone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-4-11(13-3)12(14)10-7-5-6-9(2)8-10/h5-8,11,13H,4H2,1-3H3 |
| InChIKey | XTCTXCSGKAZSKT-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1(=CC=CC(=C1)C)C(C(CC)NC)=O |