| SpectraBase Compound ID | IrbiA5THrar |
|---|---|
| InChI | InChI=1S/C27H22S2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)27(29-21-28-26,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2 |
| InChIKey | VEVOLECXIGJCAC-UHFFFAOYSA-N |
| Mol Weight | 410.59 g/mol |
| Molecular Formula | C27H22S2 |
| Exact Mass | 410.116293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9wrxO4XkQGF |
|---|---|
| Name | 4,4,5,5-Tetraphenyl-1,3-dithiolane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.116293056 u |
| Formula | C27H22S2 |
| InChI | InChI=1S/C27H22S2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)27(29-21-28-26,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2 |
| InChIKey | VEVOLECXIGJCAC-UHFFFAOYSA-N |
| Molecular Weight | 410.593 g/mol |
| SMILES | C1(C(SCS1)(C1=CC=CC=C1)C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1 |