| SpectraBase Compound ID | 7RktPXuNbo3 |
|---|---|
| InChI | InChI=1S/C16H18O4S4/c17-23(18,21-13-15-7-3-1-4-8-15)11-12-24(19,20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey | MLSVOSXHVWCFNM-UHFFFAOYSA-N |
| Mol Weight | 402.6 g/mol |
| Molecular Formula | C16H18O4S4 |
| Exact Mass | 402.008794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 45u4S1x43qK |
|---|---|
| Name | S,S'-Dibenzyl 1,2-ethanebis(thiosulfonate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.008793752 u |
| Formula | C16H18O4S4 |
| InChI | InChI=1S/C16H18O4S4/c17-23(18,21-13-15-7-3-1-4-8-15)11-12-24(19,20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey | MLSVOSXHVWCFNM-UHFFFAOYSA-N |
| Molecular Weight | 402.556 g/mol |
| SMILES | C(CS(=O)(SCC1=CC=CC=C1)=O)S(SCC1=CC=CC=C1)(=O)=O |