| SpectraBase Compound ID | LJqqrHGArof |
|---|---|
| InChI | InChI=1S/C16H23BrOS/c1-13(9-10-15(17)16(2,3)18)11-12-19-14-7-5-4-6-8-14/h4-8,11,15,18H,9-10,12H2,1-3H3/b13-11+ |
| InChIKey | QUQBMSSRYXQVLK-ACCUITESSA-N |
| Mol Weight | 343.32 g/mol |
| Molecular Formula | C16H23BrOS |
| Exact Mass | 342.0653 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 | ACPkIwTvJXF |
|---|---|
| Name | 3-Bromo-2,6-dimethyl-8-phenylthiooct-6-en-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.065299534 u |
| Formula | C16H23BrOS |
| InChI | InChI=1S/C16H23BrOS/c1-13(9-10-15(17)16(2,3)18)11-12-19-14-7-5-4-6-8-14/h4-8,11,15,18H,9-10,12H2,1-3H3/b13-11+ |
| InChIKey | QUQBMSSRYXQVLK-ACCUITESSA-N |
| Molecular Weight | 343.323 g/mol |
| SMILES | C1=CC(SC\C=C/(C)CCC(C(O)(C)C)Br)=CC=C1 |