| SpectraBase Compound ID | Gn3oveGRiff |
|---|---|
| InChI | InChI=1S/C11H13BrF2S/c1-15-11(13,14)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChIKey | IBYRLWLLLDLFSE-UHFFFAOYSA-N |
| Mol Weight | 295.19 g/mol |
| Molecular Formula | C11H13BrF2S |
| Exact Mass | 293.988941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7j1ZyFi7r5Q |
|---|---|
| Name | 2-Bromo-1,1-difluoro-1-methylthio-4-phenylbutane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.988940919 u |
| Formula | C11H13BrF2S |
| InChI | InChI=1S/C11H13BrF2S/c1-15-11(13,14)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3 |
| InChIKey | IBYRLWLLLDLFSE-UHFFFAOYSA-N |
| Molecular Weight | 295.186 g/mol |
| SMILES | C(C(CCC1=CC=CC=C1)Br)(SC)(F)F |