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(E)-1-Chloro-3-methyl-4-phenyl-1-(phenylsulfinyl)but-3-en-2-ol

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

(E)-1-Chloro-3-methyl-4-phenyl-1-(phenylsulfinyl)but-3-en-2-ol
SpectraBase Compound ID 60nIHOLbUIe
InChI InChI=1S/C17H17ClO2S/c1-13(12-14-8-4-2-5-9-14)16(19)17(18)21(20)15-10-6-3-7-11-15/h2-12,16-17,19H,1H3/b13-12+
InChIKey RZLIUAWCHJNRKN-OUKQBFOZSA-N
Mol Weight 320.83 g/mol
Molecular Formula C17H17ClO2S
Exact Mass 320.063779 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AvxzoeU3nve
Name (E)-1-Chloro-3-methyl-4-phenyl-1-(phenylsulfinyl)but-3-en-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.063778659 u
Formula C17H17ClO2S
InChI InChI=1S/C17H17ClO2S/c1-13(12-14-8-4-2-5-9-14)16(19)17(18)21(20)15-10-6-3-7-11-15/h2-12,16-17,19H,1H3/b13-12+
InChIKey RZLIUAWCHJNRKN-OUKQBFOZSA-N
Molecular Weight 320.834 g/mol
SMILES C(C(\C(=C\C=1C=CC=CC1)C)O)(S(=O)C=1C=CC=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.918693