| SpectraBase Compound ID | KPAHU20QWw5 |
|---|---|
| InChI | InChI=1S/C18H28N2/c1-3-5-6-9-13-20(4-2)14-12-16-15-19-18-11-8-7-10-17(16)18/h7-8,10-11,15,19H,3-6,9,12-14H2,1-2H3 |
| InChIKey | XMJMIDLTRAYTPE-UHFFFAOYSA-N |
| Mol Weight | 272.44 g/mol |
| Molecular Formula | C18H28N2 |
| Exact Mass | 272.225249 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EwHzKQw2MzP |
|---|---|
| Name | N,N-Ethylhexyltryptamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.225248910 u |
| Formula | C18H28N2 |
| InChI | InChI=1S/C18H28N2/c1-3-5-6-9-13-20(4-2)14-12-16-15-19-18-11-8-7-10-17(16)18/h7-8,10-11,15,19H,3-6,9,12-14H2,1-2H3 |
| InChIKey | XMJMIDLTRAYTPE-UHFFFAOYSA-N |
| SMILES | C=12C(NC=C2CCN(CCCCCC)CC)=CC=CC1 |