| SpectraBase Compound ID | CUXCceMQ9ey |
|---|---|
| InChI | InChI=1S/C14H15F5OS/c1-8-7-9(12(2,3)4)5-6-10(8)21-11(20)13(15,16)14(17,18)19/h5-7H,1-4H3 |
| InChIKey | ZFPFPFRBCQXALE-UHFFFAOYSA-N |
| Mol Weight | 326.33 g/mol |
| Molecular Formula | C14H15F5OS |
| Exact Mass | 326.076377 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 | 6klrZCgKHtt |
|---|---|
| Name | 4-Tert-butyl-2-methylthiophenol, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.076377091 u |
| Formula | C14H15F5OS |
| InChI | InChI=1S/C14H15F5OS/c1-8-7-9(12(2,3)4)5-6-10(8)21-11(20)13(15,16)14(17,18)19/h5-7H,1-4H3 |
| InChIKey | ZFPFPFRBCQXALE-UHFFFAOYSA-N |
| Molecular Weight | 326.325 g/mol |
| SMILES | C1(SC(C(C(F)(F)F)(F)F)=O)=C(C=C(C=C1)C(C)(C)C)C |