| SpectraBase Compound ID | LMyKGa2Dduv |
|---|---|
| InChI | InChI=1S/C18H16O4S2/c19-17-13-7-1-3-9-15(13)23-24-16-10-4-2-8-14(16)18(20)22-12-6-5-11-21-17/h1-4,7-10H,5-6,11-12H2 |
| InChIKey | DZIPYMWHDHAQAP-UHFFFAOYSA-N |
| Mol Weight | 360.44 g/mol |
| Molecular Formula | C18H16O4S2 |
| Exact Mass | 360.049001 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CtDqBAsGFWS |
|---|---|
| Name | 2,2'-Dithiodibenzoic acid, tetramethylene ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.049001339 u |
| Formula | C18H16O4S2 |
| InChI | InChI=1S/C18H16O4S2/c19-17-13-7-1-3-9-15(13)23-24-16-10-4-2-8-14(16)18(20)22-12-6-5-11-21-17/h1-4,7-10H,5-6,11-12H2 |
| InChIKey | DZIPYMWHDHAQAP-UHFFFAOYSA-N |
| Molecular Weight | 360.442 g/mol |
| SMILES | C1CCOC(C=2C(=CC=CC2)SSC2=CC=CC=C2C(=O)OC1)=O |