(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 Google Search
Mol Weight	328.31 g/mol
Molecular Formula	C15H11F3O3S
Exact Mass	328.0381 g/mol

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SpectraBase Spectrum ID	2GdNedch0Zp
Name	(2S,ss)-2-[(1S)-1-Hydroxy-1-(4-trifluoromethylphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	328.038099874 u
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	[C@@]1(S(C=2C(O1)=CC=CC2)=O)(C(C=1C=CC(C(F)(F)F)=CC1)O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.801311