| SpectraBase Compound ID | LS0dNgiQTUh |
|---|---|
| InChI | InChI=1S/C16H14O4S2/c1-19-11-3-7-13(8-4-11)21-15(17)16(18)22-14-9-5-12(20-2)6-10-14/h3-10H,1-2H3 |
| InChIKey | QJKKTOIOZDHWAE-UHFFFAOYSA-N |
| Mol Weight | 334.4 g/mol |
| Molecular Formula | C16H14O4S2 |
| Exact Mass | 334.033351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | W6WT48ZhfK |
|---|---|
| Name | S,S'-bis(4,4'-Dimethoxyphenyl) dithioxalate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.033351275 u |
| Formula | C16H14O4S2 |
| InChI | InChI=1S/C16H14O4S2/c1-19-11-3-7-13(8-4-11)21-15(17)16(18)22-14-9-5-12(20-2)6-10-14/h3-10H,1-2H3 |
| InChIKey | QJKKTOIOZDHWAE-UHFFFAOYSA-N |
| Molecular Weight | 334.404 g/mol |
| SMILES | C1(=CC=C(C=C1)SC(=O)C(=O)SC1=CC=C(C=C1)OC)OC |