| SpectraBase Compound ID | 1HVZL65jMO0 |
|---|---|
| InChI | InChI=1S/3C7H7.C5H4O2S.Sn/c3*1-7-5-3-2-4-6-7;6-5(7)4-2-1-3-8-4;/h3*2-6H,1H2;1-3H,(H,6,7);/q;;;;+1/p-1 |
| InChIKey | ISQUXXWSRUYTFK-UHFFFAOYSA-M |
| Mol Weight | 519.25 g/mol |
| Molecular Formula | C26H24O2SSn |
| Exact Mass | 520.051903 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dFSYUkrmtg |
|---|---|
| Name | Tribenzylstannyl thiophene-2-carboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 520.051903185 u |
| Formula | C26H24O2SSn |
| InChI | InChI=1S/3C7H7.C5H4O2S.Sn/c3*1-7-5-3-2-4-6-7;6-5(7)4-2-1-3-8-4;/h3*2-6H,1H2;1-3H,(H,6,7);/q;;;;+1/p-1 |
| InChIKey | ISQUXXWSRUYTFK-UHFFFAOYSA-M |
| Molecular Weight | 519.247 g/mol |
| SMILES | C([Sn](CC=1C=CC=CC1)(OC(C1=CC=CS1)=O)CC=1C=CC=CC1)C1=CC=CC=C1 |