![2-[(4-Methoxyphenyl)ethynyl]aniline](/api/spectrum/30sbzst59hl/structure.png?h=300&w=458 "2-[(4-Methoxyphenyl)ethynyl]aniline")
| SpectraBase Compound ID | HUqyBOBcgod |
|---|---|
| InChI | InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3 |
| InChIKey | YAXVIURCVHCTST-UHFFFAOYSA-N |
| Mol Weight | 223.27 g/mol |
| Molecular Formula | C15H13NO |
| Exact Mass | 223.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 30sbzst59hl |
|---|---|
| Name | 2-[(4-Methoxyphenyl)ethynyl]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.099714042 u |
| Formula | C15H13NO |
| InChI | InChI=1S/C15H13NO/c1-17-14-10-7-12(8-11-14)6-9-13-4-2-3-5-15(13)16/h2-5,7-8,10-11H,16H2,1H3 |
| InChIKey | YAXVIURCVHCTST-UHFFFAOYSA-N |
| Molecular Weight | 223.275 g/mol |
| SMILES | C(#CC1=CC=C(C=C1)OC)C1=C(N)C=CC=C1 |