| SpectraBase Compound ID | KqiIauHopqd |
|---|---|
| InChI | InChI=1S/C21H20S2/c1-4-10-18(11-5-1)16-17-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1-15,21H,16-17H2 |
| InChIKey | IYKHCXFDCHOYSX-UHFFFAOYSA-N |
| Mol Weight | 336.51 g/mol |
| Molecular Formula | C21H20S2 |
| Exact Mass | 336.100643 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LVOZI9imiGL |
|---|---|
| Name | 3,3-bis(Phenylthio)propylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.100642992 u |
| Formula | C21H20S2 |
| InChI | InChI=1S/C21H20S2/c1-4-10-18(11-5-1)16-17-21(22-19-12-6-2-7-13-19)23-20-14-8-3-9-15-20/h1-15,21H,16-17H2 |
| InChIKey | IYKHCXFDCHOYSX-UHFFFAOYSA-N |
| Molecular Weight | 336.511 g/mol |
| SMILES | C(CCC=1C=CC=CC1)(SC=1C=CC=CC1)SC=1C=CC=CC1 |