| SpectraBase Compound ID | EYliFrSJQO4 |
|---|---|
| InChI | InChI=1S/C15H8BrF5OS/c16-11-5-1-9(2-6-11)10-3-7-12(8-4-10)23-13(22)14(17,18)15(19,20)21/h1-8H |
| InChIKey | OYIIJQRKLPSGQX-UHFFFAOYSA-N |
| Mol Weight | 411.18 g/mol |
| Molecular Formula | C15H8BrF5OS |
| Exact Mass | 409.93994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KUn33eEuWwm |
|---|---|
| Name | 4'-Bromo-4-mercaptobiphenyl, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 409.939939866 u |
| Formula | C15H8BrF5OS |
| InChI | InChI=1S/C15H8BrF5OS/c16-11-5-1-9(2-6-11)10-3-7-12(8-4-10)23-13(22)14(17,18)15(19,20)21/h1-8H |
| InChIKey | OYIIJQRKLPSGQX-UHFFFAOYSA-N |
| Molecular Weight | 411.184 g/mol |
| SMILES | C1(SC(C(C(F)(F)F)(F)F)=O)=CC=C(C=C1)C1=CC=C(C=C1)Br |