| SpectraBase Compound ID | 3b9BuisdXvt |
|---|---|
| InChI | InChI=1S/C21H28As2S/c1-3-10-20(11-4-1)22-14-7-15-23(21-12-5-2-6-13-21)17-9-19-24-18-8-16-22/h1-6,10-13H,7-9,14-19H2 |
| InChIKey | WUWBAZLDRHJAQR-UHFFFAOYSA-N |
| Mol Weight | 462.36 g/mol |
| Molecular Formula | C21H28As2S |
| Exact Mass | 462.034362 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPYzbR7fEiC |
|---|---|
| Name | 5,9-Diphenyl-1-thia-5,9-diarsacyclododecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 462.034362076 u |
| Formula | C21H28As2S |
| InChI | InChI=1S/C21H28As2S/c1-3-10-20(11-4-1)22-14-7-15-23(21-12-5-2-6-13-21)17-9-19-24-18-8-16-22/h1-6,10-13H,7-9,14-19H2 |
| InChIKey | WUWBAZLDRHJAQR-UHFFFAOYSA-N |
| Molecular Weight | 462.358 g/mol |
| SMILES | C1SCCC[As](CCC[As](CC1)C1=CC=CC=C1)C1=CC=CC=C1 |