![1-[2-(4-Chlorophenyl)ethynyl]-4-nitro-benzene](/api/spectrum/9uBHgQfZ0mY/structure.png?h=300&w=458 "1-[2-(4-Chlorophenyl)ethynyl]-4-nitro-benzene")
| SpectraBase Compound ID | EUWEK59Un9I |
|---|---|
| InChI | InChI=1S/C14H8ClNO2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h3-10H |
| InChIKey | MWHMVTCMNDGOEO-UHFFFAOYSA-N |
| Mol Weight | 257.68 g/mol |
| Molecular Formula | C14H8ClNO2 |
| Exact Mass | 257.024356 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9uBHgQfZ0mY |
|---|---|
| Name | 1-[2-(4-Chlorophenyl)ethynyl]-4-nitro-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.024356200 u |
| Formula | C14H8ClNO2 |
| InChI | InChI=1S/C14H8ClNO2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h3-10H |
| InChIKey | MWHMVTCMNDGOEO-UHFFFAOYSA-N |
| SMILES | C=1(N(=O)=O)C=CC(C#CC2=CC=C(C=C2)Cl)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894083 |