| SpectraBase Compound ID | aew4avU50 |
|---|---|
| InChI | InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-10(14-2)11(15-3)6-9(8)12/h5-7H,4,13H2,1-3H3 |
| InChIKey | JPDVAVONMYSOMF-UHFFFAOYSA-N |
| Mol Weight | 274.16 g/mol |
| Molecular Formula | C11H16BrNO2 |
| Exact Mass | 273.036442 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IUKqlDvOA6I |
|---|---|
| Name | 2-Bromo-4,5-dimethoxyamphetamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.036441757 u |
| Formula | C11H16BrNO2 |
| InChI | InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-10(14-2)11(15-3)6-9(8)12/h5-7H,4,13H2,1-3H3 |
| InChIKey | JPDVAVONMYSOMF-UHFFFAOYSA-N |
| Molecular Weight | 274.158 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)Br)CC(N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962003 |