| SpectraBase Compound ID | KwzMJHRcyAk |
|---|---|
| InChI | InChI=1S/C15H23NO/c1-5-6-10-16(4)13(3)15(17)14-9-7-8-12(2)11-14/h7-9,11,13H,5-6,10H2,1-4H3 |
| InChIKey | CDRMMIHKIOLSNV-UHFFFAOYSA-N |
| Mol Weight | 233.35 g/mol |
| Molecular Formula | C15H23NO |
| Exact Mass | 233.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4t17ANK4EG |
|---|---|
| Name | N-Butyl-3-methylmethcathinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.177964364 u |
| Formula | C15H23NO |
| InChI | InChI=1S/C15H23NO/c1-5-6-10-16(4)13(3)15(17)14-9-7-8-12(2)11-14/h7-9,11,13H,5-6,10H2,1-4H3 |
| InChIKey | CDRMMIHKIOLSNV-UHFFFAOYSA-N |
| Molecular Weight | 233.355 g/mol |
| SMILES | C=1(C(C(N(CCCC)C)C)=O)C=C(C=CC1)C |