![1,6-bis[(p-Chlorophenyl)sulfinyl]-2,4-hexadiyne](/api/spectrum/AD7BoJwHBfj/structure.png?h=300&w=458 "1,6-bis[(p-Chlorophenyl)sulfinyl]-2,4-hexadiyne")
| SpectraBase Compound ID | 9rNvKdE7uYx |
|---|---|
| InChI | InChI=1S/C18H12Cl2O2S2/c19-15-5-9-17(10-6-15)23(21)13-3-1-2-4-14-24(22)18-11-7-16(20)8-12-18/h5-12H,13-14H2 |
| InChIKey | SYDZQLNXPNUIMB-UHFFFAOYSA-N |
| Mol Weight | 395.32 g/mol |
| Molecular Formula | C18H12Cl2O2S2 |
| Exact Mass | 393.965577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AD7BoJwHBfj |
|---|---|
| Name | 1,6-bis[(p-Chlorophenyl)sulfinyl]-2,4-hexadiyne |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.965577372 u |
| Formula | C18H12Cl2O2S2 |
| InChI | InChI=1S/C18H12Cl2O2S2/c19-15-5-9-17(10-6-15)23(21)13-3-1-2-4-14-24(22)18-11-7-16(20)8-12-18/h5-12H,13-14H2 |
| InChIKey | SYDZQLNXPNUIMB-UHFFFAOYSA-N |
| Molecular Weight | 395.318 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)S(=O)CC#CC#CCS(=O)C=1C=CC(=CC1)Cl |