![(2S,S(S))-2-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-PHENYLETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE](/api/spectrum/FbIWrefj2rs/structure.png?h=300&w=458 "(2S,S(S))-2-[(1R)-2,2,2-TRIFLUORO-1-HYDROXY-1-PHENYLETHYL]-1,3-BEZOXATHIOL-3-(2H)-OXIDE")
| SpectraBase Compound ID | HpfvA1V8th |
|---|---|
| InChI | InChI=1S/C15H11F3O3S/c16-15(17,18)14(19,10-6-2-1-3-7-10)13-21-11-8-4-5-9-12(11)22(13)20/h1-9,13,19H/t13-,14+,22?/m1/s1 |
| InChIKey | MZMVJCFSKRXPMN-NSCHKWSVSA-N |
| Mol Weight | 328.31 g/mol |
| Molecular Formula | C15H11F3O3S |
| Exact Mass | 328.0381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FbIWrefj2rs |
|---|---|
| Name | [2R]-2-[(1R)-1'-Phenyl-2',2',2'-trifluoro-1'-hydroxyethyl]-1,3-benzoxathiol-3(2H)-oxide |
| Alternate Name(s) | (1R)-2,2,2-trifluoro-1-[(2R)-3-keto-1,3-benzoxathiol-2-yl]-1-phenyl-ethanol (1R)-2,2,2-trifluoro-1-[(2R)-3-oxido-1,3-benzoxathiol-2-yl]-1-phenylethanol (1R)-2,2,2-trifluoro-1-[(2R)-3-oxo-1,3-benzoxathiol-2-yl]-1-phenyl-ethanol (1R)-2,2,2-tris(fluoranyl)-1-[(2R)-3-oxidanylidene-1,3-benzoxathiol-2-yl]-1-phenyl-ethanol (1R)-2,2,2-trifluoro-1-[(2R)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]-1-phenylethanol (1R)-2,2,2-trifluoro-1-[(2R)-3-oxo-1,3$l^{4}-benzoxathiol-2-yl]-1-phenyl-ethanol (1R)-2,2,2-tris(fluoranyl)-1-[(2R)-3-oxidanylidene-1,3$l^{4}-benzoxathiol-2-yl]-1-phenyl-ethanol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H11F3O3S |
| InChI | InChI=1S/C15H11F3O3S/c16-15(17,18)14(19,10-6-2-1-3-7-10)13-21-11-8-4-5-9-12(11)22(13)20/h1-9,13,19H/t13-,14+,22?/m1/s1 |
| InChIKey | MZMVJCFSKRXPMN-NSCHKWSVSA-N |
| Molecular Weight | 328.305 g/mol |
| SMILES | O[C@@]([C@]1(S(c2ccccc2O1)=O)[H])(C(F)(F)F)c1ccccc1 |
| SPLASH | splash10-054x-4900000000-212d0652095533794e9d |
| Source of Spectrum | Y-40-987-7 |
| Wiley ID | 1529030 |