| SpectraBase Compound ID | 21b2aKN9TCU |
|---|---|
| InChI | InChI=1S/C18H19N/c1-16-10-12-17(13-11-16)9-6-14-19(2)15-18-7-4-3-5-8-18/h3-5,7-8,10-13H,14-15H2,1-2H3 |
| InChIKey | ALSGTVNKJATZEE-UHFFFAOYSA-N |
| Mol Weight | 249.36 g/mol |
| Molecular Formula | C18H19N |
| Exact Mass | 249.15175 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CvP7bY85xX4 |
|---|---|
| Name | Benzylmethyl[3-(p-tolyl)prop-2-ynyl]amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.151749616 u |
| Formula | C18H19N |
| InChI | InChI=1S/C18H19N/c1-16-10-12-17(13-11-16)9-6-14-19(2)15-18-7-4-3-5-8-18/h3-5,7-8,10-13H,14-15H2,1-2H3 |
| InChIKey | ALSGTVNKJATZEE-UHFFFAOYSA-N |
| Molecular Weight | 249.357 g/mol |
| SMILES | C(N(C)CC#CC1=CC=C(C=C1)C)C1=CC=CC=C1 |