| SpectraBase Compound ID | 86ohec6RvDc |
|---|---|
| InChI | InChI=1S/C16H26BrNO2/c1-5-6-7-8-18-12(2)9-13-10-15(19-3)16(20-4)11-14(13)17/h10-12,18H,5-9H2,1-4H3 |
| InChIKey | BCFYRIHDXMGXHD-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 | 4Izn0ZKkuIT |
|---|---|
| Name | N-Pentyl-2-bromo-4,5-dimethoxyamphetamine |
| 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/c1-5-6-7-8-18-12(2)9-13-10-15(19-3)16(20-4)11-14(13)17/h10-12,18H,5-9H2,1-4H3 |
| InChIKey | BCFYRIHDXMGXHD-UHFFFAOYSA-N |
| Molecular Weight | 344.293 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)Br)CC(NCCCCC)C |