| SpectraBase Compound ID | 31V7NROKTuO |
|---|---|
| InChI | InChI=1S/C11H14BrNO3/c1-15-10-5-8(3-4-13-7-14)9(12)6-11(10)16-2/h5-7H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | PKDYNJOIELUVLO-UHFFFAOYSA-N |
| Mol Weight | 288.14 g/mol |
| Molecular Formula | C11H14BrNO3 |
| Exact Mass | 287.015706 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GhTereqOCsl |
|---|---|
| Name | 2-Bromo-4,5-dimethoxyphenethylamine form |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.015706312 u |
| Formula | C11H14BrNO3 |
| InChI | InChI=1S/C11H14BrNO3/c1-15-10-5-8(3-4-13-7-14)9(12)6-11(10)16-2/h5-7H,3-4H2,1-2H3,(H,13,14) |
| InChIKey | PKDYNJOIELUVLO-UHFFFAOYSA-N |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)Br)CCNC=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884149 |