| SpectraBase Compound ID | 3UsaaI7jo0R |
|---|---|
| InChI | InChI=1S/C18H27N/c1-3-4-5-6-7-11-16-19(2)17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,3-7,11,16-17H2,1-2H3 |
| InChIKey | BYDRALFWUCIZIM-UHFFFAOYSA-N |
| Mol Weight | 257.42 g/mol |
| Molecular Formula | C18H27N |
| Exact Mass | 257.21435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJMoyauKPUa |
|---|---|
| Name | N-Methyl-N-(3-phenylprop-2-yn-1-yl)octan-1-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.214349873 u |
| Formula | C18H27N |
| InChI | InChI=1S/C18H27N/c1-3-4-5-6-7-11-16-19(2)17-12-15-18-13-9-8-10-14-18/h8-10,13-14H,3-7,11,16-17H2,1-2H3 |
| InChIKey | BYDRALFWUCIZIM-UHFFFAOYSA-N |
| Molecular Weight | 257.421 g/mol |
| SMILES | C=1(C=CC=CC1)C#CCN(CCCCCCCC)C |