| SpectraBase Compound ID | C1lqKFp7Szo |
|---|---|
| InChI | InChI=1S/C12H17NO/c1-4-11(13-3)12(14)10-7-5-9(2)6-8-10/h5-8,11,13H,4H2,1-3H3 |
| InChIKey | ZOGGCQVVLHCLHY-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 | 3Nj8gY44pWV |
|---|---|
| Name | 4-Methylbuphedrone |
| 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/c1-4-11(13-3)12(14)10-7-5-9(2)6-8-10/h5-8,11,13H,4H2,1-3H3 |
| InChIKey | ZOGGCQVVLHCLHY-UHFFFAOYSA-N |
| Molecular Weight | 191.274 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(C(CC)NC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936029 |