| SpectraBase Compound ID | K1qzp4het96 |
|---|---|
| InChI | InChI=1S/C11H14BrNO2/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10/h4-5,7,13H,3,6H2,1-2H3 |
| InChIKey | ZIBHSZQEEWBQLW-UHFFFAOYSA-N |
| Mol Weight | 272.14 g/mol |
| Molecular Formula | C11H14BrNO2 |
| Exact Mass | 271.020792 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9iC7u2zs4vb |
|---|---|
| Name | 2-Bromo-4,5-mdma |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.020791693 u |
| Formula | C11H14BrNO2 |
| InChI | InChI=1S/C11H14BrNO2/c1-7(13-2)3-8-4-10-11(5-9(8)12)15-6-14-10/h4-5,7,13H,3,6H2,1-2H3 |
| InChIKey | ZIBHSZQEEWBQLW-UHFFFAOYSA-N |
| SMILES | C12=CC(=C(C=C2OCO1)CC(C)NC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876679 |