| SpectraBase Compound ID | 1UD9fBHUuUL |
|---|---|
| InChI | InChI=1S/C9H6BrF3OS/c10-7-3-1-2-6(4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | QIRHHJMEKHBEHM-UHFFFAOYSA-N |
| Mol Weight | 299.11 g/mol |
| Molecular Formula | C9H6BrF3OS |
| Exact Mass | 297.927483 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GWOQ9UjiDSo |
|---|---|
| Name | 3-Bromobenzyl mercaptan, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.927483475 u |
| Formula | C9H6BrF3OS |
| InChI | InChI=1S/C9H6BrF3OS/c10-7-3-1-2-6(4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | QIRHHJMEKHBEHM-UHFFFAOYSA-N |
| Molecular Weight | 299.105 g/mol |
| SMILES | C(SC(C(F)(F)F)=O)C1=CC(=CC=C1)Br |