| SpectraBase Compound ID | A17KYWq9CSk |
|---|---|
| InChI | InChI=1S/C18H31NO3/c1-6-7-8-9-10-19-14(2)11-15-12-17(21-4)18(22-5)13-16(15)20-3/h12-14,19H,6-11H2,1-5H3 |
| InChIKey | KAAHLARARFJZCP-UHFFFAOYSA-N |
| Mol Weight | 309.45 g/mol |
| Molecular Formula | C18H31NO3 |
| Exact Mass | 309.230394 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GV5x5aqfXMQ |
|---|---|
| Name | N-Hexyl-2,4,5-trimethoxyamphetamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.230393859 u |
| Formula | C18H31NO3 |
| InChI | InChI=1S/C18H31NO3/c1-6-7-8-9-10-19-14(2)11-15-12-17(21-4)18(22-5)13-16(15)20-3/h12-14,19H,6-11H2,1-5H3 |
| InChIKey | KAAHLARARFJZCP-UHFFFAOYSA-N |
| Molecular Weight | 309.450 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)OC)CC(NCCCCCC)C |