| SpectraBase Compound ID | EjYWPgrkIdX |
|---|---|
| InChI | InChI=1S/C21H37N/c1-4-6-8-13-17-22(18-14-9-7-5-2)19-20(3)21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3 |
| InChIKey | MWACMUKLHXMLID-UHFFFAOYSA-N |
| Mol Weight | 303.5 g/mol |
| Molecular Formula | C21H37N |
| Exact Mass | 303.2926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BDelGZ9sMQ6 |
|---|---|
| Name | N,N-Dihexyl-beta-methylphenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.292600195 u |
| Formula | C21H37N |
| InChI | InChI=1S/C21H37N/c1-4-6-8-13-17-22(18-14-9-7-5-2)19-20(3)21-15-11-10-12-16-21/h10-12,15-16,20H,4-9,13-14,17-19H2,1-3H3 |
| InChIKey | MWACMUKLHXMLID-UHFFFAOYSA-N |
| SMILES | C(C1=CC=CC=C1)(CN(CCCCCC)CCCCCC)C |