| SpectraBase Compound ID | AIPu68hcgOy |
|---|---|
| InChI | InChI=1S/C22H39NO3/c1-7-9-11-12-14-23(13-10-8-2)18(3)15-19-16-21(25-5)22(26-6)17-20(19)24-4/h16-18H,7-15H2,1-6H3 |
| InChIKey | LMXRAGRIVXJUMV-UHFFFAOYSA-N |
| Mol Weight | 365.6 g/mol |
| Molecular Formula | C22H39NO3 |
| Exact Mass | 365.292994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | E512RuT2bND |
|---|---|
| Name | N-Butyl-N-hexyl-2,4,5-trimethoxyamphetamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.292994117 u |
| Formula | C22H39NO3 |
| InChI | InChI=1S/C22H39NO3/c1-7-9-11-12-14-23(13-10-8-2)18(3)15-19-16-21(25-5)22(26-6)17-20(19)24-4/h16-18H,7-15H2,1-6H3 |
| InChIKey | LMXRAGRIVXJUMV-UHFFFAOYSA-N |
| Molecular Weight | 365.558 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OC)OC)CC(N(CCCCCC)CCCC)C |