![[bis(Benzylthio)methyl]benzene](/api/spectrum/92b9mx0SzaL/structure.png?h=300&w=458 "[bis(Benzylthio)methyl]benzene")
| SpectraBase Compound ID | Lb44mjU0m8X |
|---|---|
| InChI | InChI=1S/C21H20S2/c1-4-10-18(11-5-1)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2 |
| InChIKey | BEEFCYOEIGRSEM-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 | 92b9mx0SzaL |
|---|---|
| Name | [bis(Benzylthio)methyl]benzene |
| 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)16-22-21(20-14-8-3-9-15-20)23-17-19-12-6-2-7-13-19/h1-15,21H,16-17H2 |
| InChIKey | BEEFCYOEIGRSEM-UHFFFAOYSA-N |
| Molecular Weight | 336.511 g/mol |
| SMILES | C1(=CC=CC=C1)C(SCC1=CC=CC=C1)SCC1=CC=CC=C1 |