| SpectraBase Compound ID | 9rJZPuYHuRd |
|---|---|
| InChI | InChI=1S/C16H16N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12,17-18H,13-14H2 |
| InChIKey | QBOVDQGVYHMPQN-UHFFFAOYSA-N |
| Mol Weight | 236.32 g/mol |
| Molecular Formula | C16H16N2 |
| Exact Mass | 236.131349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CDRd55wbhEH |
|---|---|
| Name | N-(4-N-Phenylbut-2-yn-1-yl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.131348523 u |
| Formula | C16H16N2 |
| InChI | InChI=1S/C16H16N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-6,9-12,17-18H,13-14H2 |
| InChIKey | QBOVDQGVYHMPQN-UHFFFAOYSA-N |
| Molecular Weight | 236.318 g/mol |
| SMILES | C(#CCNC1=CC=CC=C1)CNC1=CC=CC=C1 |