| SpectraBase Compound ID | JB42AE7bW94 |
|---|---|
| InChI | InChI=1S/C16H27NO/c1-4-5-6-7-12-17-14(2)13-15-8-10-16(18-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3 |
| InChIKey | QXTQXYCELKNBAD-UHFFFAOYSA-N |
| Mol Weight | 249.4 g/mol |
| Molecular Formula | C16H27NO |
| Exact Mass | 249.209264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9iZskUbCZnD |
|---|---|
| Name | N-Hexyl-4-methoxyamphetamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.209264492 u |
| Formula | C16H27NO |
| InChI | InChI=1S/C16H27NO/c1-4-5-6-7-12-17-14(2)13-15-8-10-16(18-3)11-9-15/h8-11,14,17H,4-7,12-13H2,1-3H3 |
| InChIKey | QXTQXYCELKNBAD-UHFFFAOYSA-N |
| Molecular Weight | 249.398 g/mol |
| SMILES | C=1(CC(NCCCCCC)C)C=CC(=CC1)OC |