| SpectraBase Compound ID | 9K9nxToJOEa |
|---|---|
| InChI | InChI=1S/C12H15N/c1-4-11(2)13(3)10-12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3 |
| InChIKey | GMCHSBJNLAAEOC-UHFFFAOYSA-N |
| Mol Weight | 173.26 g/mol |
| Molecular Formula | C12H15N |
| Exact Mass | 173.120449 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 28M1WOgv1Jx |
|---|---|
| Name | Benzyl(but-3-yn-2-yl)methylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.120449487 u |
| Formula | C12H15N |
| InChI | InChI=1S/C12H15N/c1-4-11(2)13(3)10-12-8-6-5-7-9-12/h1,5-9,11H,10H2,2-3H3 |
| InChIKey | GMCHSBJNLAAEOC-UHFFFAOYSA-N |
| Molecular Weight | 173.259 g/mol |
| SMILES | C#CC(N(C)CC1=CC=CC=C1)C |