| SpectraBase Compound ID | CdGeXHeZ5Zq |
|---|---|
| InChI | InChI=1S/C16H18OS3/c1-14-7-9-16(10-8-14)19-18-11-12-20(17)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3 |
| InChIKey | VHRNRAUQOPJQBU-UHFFFAOYSA-N |
| Mol Weight | 322.5 g/mol |
| Molecular Formula | C16H18OS3 |
| Exact Mass | 322.051979 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H49i4DN6KbZ |
|---|---|
| Name | 2-Benzylsulfinylethyl p-tolyl disulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.051978721 u |
| Formula | C16H18OS3 |
| InChI | InChI=1S/C16H18OS3/c1-14-7-9-16(10-8-14)19-18-11-12-20(17)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3 |
| InChIKey | VHRNRAUQOPJQBU-UHFFFAOYSA-N |
| Molecular Weight | 322.499 g/mol |
| SMILES | C1=C(C=CC=C1)CS(=O)CCSSC=1C=CC(=CC1)C |