| SpectraBase Compound ID | K3VpVaIawua |
|---|---|
| InChI | InChI=1S/C22H39N/c1-5-7-9-11-16-23(17-12-10-8-6-2)18-15-22-19-20(3)13-14-21(22)4/h13-14,19H,5-12,15-18H2,1-4H3 |
| InChIKey | KBSQEAOIYRARLV-UHFFFAOYSA-N |
| Mol Weight | 317.6 g/mol |
| Molecular Formula | C22H39N |
| Exact Mass | 317.30825 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FvMSDdwtfi |
|---|---|
| Name | N,N-Dihexyl-2,5-dimethylphenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.308250260 u |
| Formula | C22H39N |
| InChI | InChI=1S/C22H39N/c1-5-7-9-11-16-23(17-12-10-8-6-2)18-15-22-19-20(3)13-14-21(22)4/h13-14,19H,5-12,15-18H2,1-4H3 |
| InChIKey | KBSQEAOIYRARLV-UHFFFAOYSA-N |
| Molecular Weight | 317.561 g/mol |
| SMILES | C=1(C(=CC=C(C1)C)C)CCN(CCCCCC)CCCCCC |