| SpectraBase Compound ID | DH7M0QPaEOJ |
|---|---|
| InChI | InChI=1S/C12H21N/c1-4-6-7-8-9-10-12(3)13-11-5-2/h2,7-8,12-13H,4,6,9-11H2,1,3H3/b8-7+ |
| InChIKey | BOCRKYIEHQTTJA-BQYQJAHWSA-N |
| Mol Weight | 179.31 g/mol |
| Molecular Formula | C12H21N |
| Exact Mass | 179.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A9Eq8W6m7db |
|---|---|
| Name | (E)-N-Propargyl-1-methyloct-4-enylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.167399680 u |
| Formula | C12H21N |
| InChI | InChI=1S/C12H21N/c1-4-6-7-8-9-10-12(3)13-11-5-2/h2,7-8,12-13H,4,6,9-11H2,1,3H3/b8-7+ |
| InChIKey | BOCRKYIEHQTTJA-BQYQJAHWSA-N |
| Molecular Weight | 179.307 g/mol |
| SMILES | C(#C)CNC(CC\C=C\CCC)C |