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(2R,ss)-2-[(1R)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2R,ss)-2-[(1R)-1-Hydroxy-1-(4-methoxyphenyl)methyl]-1,3-benzoxathiole-3(2H)-oxide
SpectraBase Compound ID 2YMItoMBjct
InChI InChI=1S/C15H14O4S/c1-18-11-8-6-10(7-9-11)14(16)15-19-12-4-2-3-5-13(12)20(15)17/h2-9,14-16H,1H3/t14-,15-,20?/m1/s1
InChIKey QFVONBTWKZNBJW-YNCRUDOASA-N
Mol Weight 290.33 g/mol
Molecular Formula C15H14O4S
Exact Mass 290.06128 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HGUsZVXYhvb
Name (2R,ss)-2-[(1R)-1-Hydroxy-1-(4-methoxyphenyl)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 290.061280101 u
Formula C15H14O4S
InChI InChI=1S/C15H14O4S/c1-18-11-8-6-10(7-9-11)14(16)15-19-12-4-2-3-5-13(12)20(15)17/h2-9,14-16H,1H3/t14-,15-,20?/m1/s1
InChIKey QFVONBTWKZNBJW-YNCRUDOASA-N
SMILES [C@]1(S(C=2C(O1)=CC=CC2)=O)([C@@](C1=CC=C(C=C1)OC)(O)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904383