![1-Chloro-4-[(4-chlorophenyl)ethynyl]benzene](/api/spectrum/5uebrm7FAFv/structure.png?h=300&w=458 "1-Chloro-4-[(4-chlorophenyl)ethynyl]benzene")
| SpectraBase Compound ID | IFl2qn5YaIU |
|---|---|
| InChI | InChI=1S/C14H8Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H |
| InChIKey | QFRLNLXZHMUYHO-UHFFFAOYSA-N |
| Mol Weight | 247.12 g/mol |
| Molecular Formula | C14H8Cl2 |
| Exact Mass | 246.000306 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uebrm7FAFv |
|---|---|
| Name | bis[p-Chlorophenyl]acetylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.000305658 u |
| Formula | C14H8Cl2 |
| InChI | InChI=1S/C14H8Cl2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h3-10H |
| InChIKey | QFRLNLXZHMUYHO-UHFFFAOYSA-N |
| Molecular Weight | 247.124 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C#CC1=CC=C(Cl)C=C1 |