| SpectraBase Compound ID | 7jGoBZ1u3Pn |
|---|---|
| InChI | InChI=1S/C16H11Cl3O2/c17-12-3-6-14(7-4-12)20-9-1-2-10-21-16-8-5-13(18)11-15(16)19/h3-8,11H,9-10H2 |
| InChIKey | DVCPJEHMFPTOJU-UHFFFAOYSA-N |
| Mol Weight | 341.62 g/mol |
| Molecular Formula | C16H11Cl3O2 |
| Exact Mass | 339.982463 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JLbhelb5pxP |
|---|---|
| Name | 1-(p-Chlorophenoxy)-4-(2,4-dichlorophenoxy)-2-butyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.982462692 u |
| Formula | C16H11Cl3O2 |
| InChI | InChI=1S/C16H11Cl3O2/c17-12-3-6-14(7-4-12)20-9-1-2-10-21-16-8-5-13(18)11-15(16)19/h3-8,11H,9-10H2 |
| InChIKey | DVCPJEHMFPTOJU-UHFFFAOYSA-N |
| Molecular Weight | 341.621 g/mol |
| SMILES | C=1C(=C(C=C(C1)Cl)Cl)OCC#CCOC=1C=CC(=CC1)Cl |