| SpectraBase Compound ID | AZ9zqHMW1ax |
|---|---|
| InChI | InChI=1S/C12H8F6O2S2/c13-11(14,15)9(19)21-5-7-1-2-8(4-3-7)6-22-10(20)12(16,17)18/h1-4H,5-6H2 |
| InChIKey | UGDSKXCDUBOKMR-UHFFFAOYSA-N |
| Mol Weight | 362.3 g/mol |
| Molecular Formula | C12H8F6O2S2 |
| Exact Mass | 361.986991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9AmVt4O8cqJ |
|---|---|
| Name | 1,4-Benzenedimethanethiol, S,S'-di(trifluoroacetyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.986990822 u |
| Formula | C12H8F6O2S2 |
| InChI | InChI=1S/C12H8F6O2S2/c13-11(14,15)9(19)21-5-7-1-2-8(4-3-7)6-22-10(20)12(16,17)18/h1-4H,5-6H2 |
| InChIKey | UGDSKXCDUBOKMR-UHFFFAOYSA-N |
| Molecular Weight | 362.304 g/mol |
| SMILES | C1=CC(=CC=C1CSC(C(F)(F)F)=O)CSC(C(F)(F)F)=O |