| SpectraBase Compound ID | Eih00xEXlis |
|---|---|
| InChI | InChI=1S/C16H24BrNO3/c1-5-6-7-16(19)18-11(2)8-12-9-14(20-3)15(21-4)10-13(12)17/h9-11H,5-8H2,1-4H3,(H,18,19) |
| InChIKey | HIBFFKZVAZKAPE-UHFFFAOYSA-N |
| Mol Weight | 358.28 g/mol |
| Molecular Formula | C16H24BrNO3 |
| Exact Mass | 357.093957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6CJPd6bQY0u |
|---|---|
| Name | 2-Bromo-4,5-dimethoxyamphetamine pent |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.093956634 u |
| Formula | C16H24BrNO3 |
| InChI | InChI=1S/C16H24BrNO3/c1-5-6-7-16(19)18-11(2)8-12-9-14(20-3)15(21-4)10-13(12)17/h9-11H,5-8H2,1-4H3,(H,18,19) |
| InChIKey | HIBFFKZVAZKAPE-UHFFFAOYSA-N |
| Molecular Weight | 358.276 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)Br)CC(NC(CCCC)=O)C |