| SpectraBase Compound ID | BH1bedC0jYK |
|---|---|
| InChI | InChI=1S/C13H19NO/c1-5-12(14(3)4)13(15)11-8-6-10(2)7-9-11/h6-9,12H,5H2,1-4H3 |
| InChIKey | UKVFBTRCNFUOFU-UHFFFAOYSA-N |
| Mol Weight | 205.3 g/mol |
| Molecular Formula | C13H19NO |
| Exact Mass | 205.146664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JiWkGyeSWHB |
|---|---|
| Name | 4-Methyl-N-methylbuphedrone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.146664235 u |
| Formula | C13H19NO |
| InChI | InChI=1S/C13H19NO/c1-5-12(14(3)4)13(15)11-8-6-10(2)7-9-11/h6-9,12H,5H2,1-4H3 |
| InChIKey | UKVFBTRCNFUOFU-UHFFFAOYSA-N |
| Molecular Weight | 205.301 g/mol |
| SMILES | C1(=CC=C(C=C1)C)C(C(CC)N(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95551 |