| SpectraBase Compound ID | DmyQHX7qe4L |
|---|---|
| InChI | InChI=1S/C17H20O4S4/c18-24(19,14-16-8-3-1-4-9-16)22-12-7-13-23-25(20,21)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2 |
| InChIKey | PNZDENVTQURSHR-UHFFFAOYSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C17H20O4S4 |
| Exact Mass | 416.024444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcHfKHFpisM |
|---|---|
| Name | S,S'-Trimethylene bis(phenylmethanethiosulfonate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.024443816 u |
| Formula | C17H20O4S4 |
| InChI | InChI=1S/C17H20O4S4/c18-24(19,14-16-8-3-1-4-9-16)22-12-7-13-23-25(20,21)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2 |
| InChIKey | PNZDENVTQURSHR-UHFFFAOYSA-N |
| Molecular Weight | 416.583 g/mol |
| SMILES | C(S(SCCCSS(=O)(=O)CC1=CC=CC=C1)(=O)=O)C1=CC=CC=C1 |