| SpectraBase Compound ID | HaSdPZCE8DX |
|---|---|
| InChI | InChI=1S/C16H26BrNO2/c1-5-7-9-18(6-2)10-8-13-11-15(19-3)16(20-4)12-14(13)17/h11-12H,5-10H2,1-4H3 |
| InChIKey | GFXABWOMPZYUGG-UHFFFAOYSA-N |
| Mol Weight | 344.29 g/mol |
| Molecular Formula | C16H26BrNO2 |
| Exact Mass | 343.114692 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EjQm5fJrxIS |
|---|---|
| Name | N,N-Butyl-ethyl-2-bromo-4,5-dimethoxyphenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.114692079 u |
| Formula | C16H26BrNO2 |
| InChI | InChI=1S/C16H26BrNO2/c1-5-7-9-18(6-2)10-8-13-11-15(19-3)16(20-4)12-14(13)17/h11-12H,5-10H2,1-4H3 |
| InChIKey | GFXABWOMPZYUGG-UHFFFAOYSA-N |
| Molecular Weight | 344.293 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)Br)CCN(CCCC)CC |