| SpectraBase Compound ID | 4Xb8dWaOsoA |
|---|---|
| InChI | InChI=1S/C13H17BrF2S/c1-17-13(15,16)12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3 |
| InChIKey | YFCWFAPYPMZUQX-UHFFFAOYSA-N |
| Mol Weight | 323.24 g/mol |
| Molecular Formula | C13H17BrF2S |
| Exact Mass | 322.020241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 52A3epft8ob |
|---|---|
| Name | 2-Bromo-1,1-difluoro-1-methylthio-6-phenylhexane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.020241047 u |
| Formula | C13H17BrF2S |
| InChI | InChI=1S/C13H17BrF2S/c1-17-13(15,16)12(14)10-6-5-9-11-7-3-2-4-8-11/h2-4,7-8,12H,5-6,9-10H2,1H3 |
| InChIKey | YFCWFAPYPMZUQX-UHFFFAOYSA-N |
| Molecular Weight | 323.240 g/mol |
| SMILES | C(C(Br)CCCCC1=CC=CC=C1)(SC)(F)F |