| SpectraBase Compound ID | 7tH7BE99QjV |
|---|---|
| InChI | InChI=1S/C17H29NO3/c1-6-7-8-11-18-13(2)12-14-9-10-15(19-3)17(21-5)16(14)20-4/h9-10,13,18H,6-8,11-12H2,1-5H3 |
| InChIKey | QKBXXWAXGDVSSB-UHFFFAOYSA-N |
| Mol Weight | 295.42 g/mol |
| Molecular Formula | C17H29NO3 |
| Exact Mass | 295.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IQsHXewe9Hx |
|---|---|
| Name | N-Pentyl-2,3,4-trimethoxyamphetamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.214743795 u |
| Formula | C17H29NO3 |
| InChI | InChI=1S/C17H29NO3/c1-6-7-8-11-18-13(2)12-14-9-10-15(19-3)17(21-5)16(14)20-4/h9-10,13,18H,6-8,11-12H2,1-5H3 |
| InChIKey | QKBXXWAXGDVSSB-UHFFFAOYSA-N |
| SMILES | C1(=C(C(=CC=C1CC(NCCCCC)C)OC)OC)OC |