| SpectraBase Compound ID | H2LMSVhawlv |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-9-5-7-11(8-6-9)12(14)10(2)13(3)4/h5-8,10H,1-4H3 |
| InChIKey | FXLSIGLYVVJURY-UHFFFAOYSA-N |
| Mol Weight | 191.27 g/mol |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 49MrIjWggOW |
|---|---|
| Name | 4-Methyl-N,N-dimethylcathinone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.131014170 u |
| Formula | C12H17NO |
| InChI | InChI=1S/C12H17NO/c1-9-5-7-11(8-6-9)12(14)10(2)13(3)4/h5-8,10H,1-4H3 |
| InChIKey | FXLSIGLYVVJURY-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1=C(C=CC(=C1)C(=O)C(N(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973767 |