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(2S,Ss)-2-[(1S)-1-Hydroxy-1-(4-trifluoromethylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID KU0cHqvFKdz
InChI InChI=1S/C15H11F3O3S/c16-15(17,18)10-7-5-9(6-8-10)13(19)14-21-11-3-1-2-4-12(11)22(14)20/h1-8,13-14,19H/t13?,14-,22?/m0/s1
InChIKey JWGVTBLQXFOLBJ-ABTIHDLSSA-N
Mol Weight 328.31 g/mol
Molecular Formula C15H11F3O3S
Exact Mass 328.0381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24zZQLxtIU6
Name (2S,Ss)-2-[(1S)-1-Hydroxy-1-(4-trifluoromethylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11F3O3S
InChI InChI=1S/C15H11F3O3S/c16-15(17,18)10-7-5-9(6-8-10)13(19)14-21-11-3-1-2-4-12(11)22(14)20/h1-8,13-14,19H/t13?,14-,22?/m0/s1
InChIKey JWGVTBLQXFOLBJ-ABTIHDLSSA-N
Molecular Weight 328.305 g/mol
SMILES OC([C@@]1(S(c2c(cccc2)O1)=O)[H])c1ccc(C(F)(F)F)cc1
SPLASH splash10-002v-2900000000-cabc88717fac3dc6e4a2
Source of Spectrum F-57-10373-7
Wiley ID 1626837