| SpectraBase Compound ID | 29jPD15km36 |
|---|---|
| InChI | InChI=1S/C15H16OS3/c16-19(13-14-7-3-1-4-8-14)12-11-17-18-15-9-5-2-6-10-15/h1-10H,11-13H2 |
| InChIKey | RKOLJEYGAPCTDX-UHFFFAOYSA-N |
| Mol Weight | 308.47 g/mol |
| Molecular Formula | C15H16OS3 |
| Exact Mass | 308.036329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Axpx4XP3JH |
|---|---|
| Name | 2-Benzylsulfinylethyl phenyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.036328656 u |
| Formula | C15H16OS3 |
| InChI | InChI=1S/C15H16OS3/c16-19(13-14-7-3-1-4-8-14)12-11-17-18-15-9-5-2-6-10-15/h1-10H,11-13H2 |
| InChIKey | RKOLJEYGAPCTDX-UHFFFAOYSA-N |
| Molecular Weight | 308.472 g/mol |
| SMILES | C1=C(C=CC=C1)CS(=O)CCSSC1=CC=CC=C1 |