![Benzene, 1-[(4-chlorophenyl)ethynyl]-2-nitro-](/api/spectrum/3szU1edeWOn/structure.png?h=300&w=458 "Benzene, 1-[(4-chlorophenyl)ethynyl]-2-nitro-")
| SpectraBase Compound ID | 7LsVIqrNCKy |
|---|---|
| InChI | InChI=1S/C14H8ClNO2/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16(17)18/h1-4,6-7,9-10H |
| InChIKey | MYPKXULGMPMATF-UHFFFAOYSA-N |
| Mol Weight | 257.68 g/mol |
| Molecular Formula | C14H8ClNO2 |
| Exact Mass | 257.024356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3szU1edeWOn |
|---|---|
| Name | Benzene, 1-[(4-chlorophenyl)ethynyl]-2-nitro- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.024356200 u |
| Formula | C14H8ClNO2 |
| InChI | InChI=1S/C14H8ClNO2/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16(17)18/h1-4,6-7,9-10H |
| InChIKey | MYPKXULGMPMATF-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C(C#CC=2C=CC(=CC2)Cl)=CC=CC1 |