| SpectraBase Compound ID | A4aujoyJxg2 |
|---|---|
| InChI | InChI=1S/C13H19NO/c1-5-14-11(4)13(15)12-7-6-9(2)10(3)8-12/h6-8,11,14H,5H2,1-4H3 |
| InChIKey | AOXOTNQJKCPNGK-UHFFFAOYSA-N |
| Mol Weight | 205.3 g/mol |
| Molecular Formula | C13H19NO |
| Exact Mass | 205.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ostmBOjeQa |
|---|---|
| Name | 3,4-Dimethylethcathinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.146664235 u |
| Formula | C13H19NO |
| InChI | InChI=1S/C13H19NO/c1-5-14-11(4)13(15)12-7-6-9(2)10(3)8-12/h6-8,11,14H,5H2,1-4H3 |
| InChIKey | AOXOTNQJKCPNGK-UHFFFAOYSA-N |
| Molecular Weight | 205.301 g/mol |
| SMILES | C1(=C(C=CC(=C1)C(C(NCC)C)=O)C)C |