![3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N,N-dimethyl-2-propyn-1-amine](/api/spectrum/HPJkbYpTBdT/structure.png?h=300&w=458 "3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-N,N-dimethyl-2-propyn-1-amine")
| SpectraBase Compound ID | KpNWtdLjaj1 |
|---|---|
| InChI | InChI=1S/C16H20N2/c1-17(2)13-5-7-15-9-11-16(12-10-15)8-6-14-18(3)4/h9-12H,13-14H2,1-4H3 |
| InChIKey | OQWOGTZSXZPOMZ-UHFFFAOYSA-N |
| Mol Weight | 240.35 g/mol |
| Molecular Formula | C16H20N2 |
| Exact Mass | 240.162649 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPJkbYpTBdT |
|---|---|
| Name | 3-[4-[3-(Dimethylamino)prop-1-ynyl]phenyl]-N,N-dimethyl-2-propyn-1-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.162648652 u |
| Formula | C16H20N2 |
| InChI | InChI=1S/C16H20N2/c1-17(2)13-5-7-15-9-11-16(12-10-15)8-6-14-18(3)4/h9-12H,13-14H2,1-4H3 |
| InChIKey | OQWOGTZSXZPOMZ-UHFFFAOYSA-N |
| Molecular Weight | 240.350 g/mol |
| SMILES | C(#CC=1C=CC(C#CCN(C)C)=CC1)CN(C)C |