| SpectraBase Compound ID | C4e4I5gQZWg |
|---|---|
| InChI | InChI=1S/C13H8BrF3O3S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-21(18,19)13(15,16)17/h1-8H |
| InChIKey | LUSPTKXNKWTUFC-UHFFFAOYSA-N |
| Mol Weight | 381.16 g/mol |
| Molecular Formula | C13H8BrF3O3S |
| Exact Mass | 379.932963 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5eIhkoH4yTA |
|---|---|
| Name | 4'-Bromobiphenyl-4-yl triflate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.932962778 u |
| Formula | C13H8BrF3O3S |
| InChI | InChI=1S/C13H8BrF3O3S/c14-11-5-1-9(2-6-11)10-3-7-12(8-4-10)20-21(18,19)13(15,16)17/h1-8H |
| InChIKey | LUSPTKXNKWTUFC-UHFFFAOYSA-N |
| Molecular Weight | 381.163 g/mol |
| SMILES | C(S(OC1=CC=C(C=C1)C1=CC=C(C=C1)Br)(=O)=O)(F)(F)F |