| SpectraBase Compound ID | Dfp3SxiJS2R |
|---|---|
| InChI | InChI=1S/C11H12BrNO2/c1-7(13-8(2)14)11(15)9-4-3-5-10(12)6-9/h3-7H,1-2H3,(H,13,14) |
| InChIKey | RKNMFFWCJSMYMY-UHFFFAOYSA-N |
| Mol Weight | 270.13 g/mol |
| Molecular Formula | C11H12BrNO2 |
| Exact Mass | 269.005142 g/mol |
| SpectraBase Spectrum ID | FNo12ixO4Fb |
|---|---|
| Name | 3-Bromomethcathinone-m (nor-) ac P710 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.005141628 u |
| Formula | C11H12BrNO2 |
| InChI | InChI=1S/C11H12BrNO2/c1-7(13-8(2)14)11(15)9-4-3-5-10(12)6-9/h3-7H,1-2H3,(H,13,14) |
| InChIKey | RKNMFFWCJSMYMY-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1Br)C(=O)C(NC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956285 |