![3-[(4-Nitrophenyl)ethynyl]aniline](/api/spectrum/3jEqwTrgUun/structure.png?h=300&w=458 "3-[(4-Nitrophenyl)ethynyl]aniline")
| SpectraBase Compound ID | IYYU5G2IZCt |
|---|---|
| InChI | InChI=1S/C14H10N2O2/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(17)18/h1-3,6-10H,15H2 |
| InChIKey | VYEMTANWCQRQLX-UHFFFAOYSA-N |
| Mol Weight | 238.25 g/mol |
| Molecular Formula | C14H10N2O2 |
| Exact Mass | 238.074228 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3jEqwTrgUun |
|---|---|
| Name | 3-[(4-Nitrophenyl)ethynyl]aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.074227568 u |
| Formula | C14H10N2O2 |
| InChI | InChI=1S/C14H10N2O2/c15-13-3-1-2-12(10-13)5-4-11-6-8-14(9-7-11)16(17)18/h1-3,6-10H,15H2 |
| InChIKey | VYEMTANWCQRQLX-UHFFFAOYSA-N |
| Molecular Weight | 238.246 g/mol |
| SMILES | C=1(N(=O)=O)C=CC(C#CC2=CC(N)=CC=C2)=CC1 |