| SpectraBase Compound ID | 9ySw7sie6Tp |
|---|---|
| InChI | InChI=1S/C22H30OS2/c1-4-5-6-7-8-21(23)22(24-19-13-9-17(2)10-14-19)25-20-15-11-18(3)12-16-20/h9-16,21-23H,4-8H2,1-3H3 |
| InChIKey | UPPIZFCWJDONTE-UHFFFAOYSA-N |
| Mol Weight | 374.6 g/mol |
| Molecular Formula | C22H30OS2 |
| Exact Mass | 374.173808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4bDKlTq2Gjq |
|---|---|
| Name | 1,1-bis(p-Tolylthio)octan-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.173807933 u |
| Formula | C22H30OS2 |
| InChI | InChI=1S/C22H30OS2/c1-4-5-6-7-8-21(23)22(24-19-13-9-17(2)10-14-19)25-20-15-11-18(3)12-16-20/h9-16,21-23H,4-8H2,1-3H3 |
| InChIKey | UPPIZFCWJDONTE-UHFFFAOYSA-N |
| Molecular Weight | 374.601 g/mol |
| SMILES | C(SC1=CC=C(C=C1)C)(SC=1C=CC(=CC1)C)C(O)CCCCCC |