| SpectraBase Compound ID | IO2uy5ZmHZX |
|---|---|
| InChI | InChI=1S/C27H24S2/c1-5-13-23(14-6-1)21-28-27(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29-22-24-15-7-2-8-16-24/h1-20H,21-22H2 |
| InChIKey | MENTYQIDBMTYNE-UHFFFAOYSA-N |
| Mol Weight | 412.61 g/mol |
| Molecular Formula | C27H24S2 |
| Exact Mass | 412.131943 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuDP4CrDFkk |
|---|---|
| Name | (bis(Benzylthio)(phenyl)methyl)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.131943121 u |
| Formula | C27H24S2 |
| InChI | InChI=1S/C27H24S2/c1-5-13-23(14-6-1)21-28-27(25-17-9-3-10-18-25,26-19-11-4-12-20-26)29-22-24-15-7-2-8-16-24/h1-20H,21-22H2 |
| InChIKey | MENTYQIDBMTYNE-UHFFFAOYSA-N |
| Molecular Weight | 412.609 g/mol |
| SMILES | C1(C(SCC2=CC=CC=C2)(SCC2=CC=CC=C2)C2=CC=CC=C2)=CC=CC=C1 |