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1-Chloranyl-3-(4-methylphenyl)sulfonyl-propan-2-ol

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

1-Chloranyl-3-(4-methylphenyl)sulfonyl-propan-2-ol
SpectraBase Compound ID JzqEX80Vdhp
InChI InChI=1S/C10H13ClO3S/c1-8-2-4-10(5-3-8)15(13,14)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3
InChIKey GIPUJWOQHYHQEJ-UHFFFAOYSA-N
Mol Weight 248.72 g/mol
Molecular Formula C10H13ClO3S
Exact Mass 248.027393 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BTMJ2yTuMY5
Name 1-Chloranyl-3-(4-methylphenyl)sulfonyl-propan-2-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.027393150 u
Formula C10H13ClO3S
InChI InChI=1S/C10H13ClO3S/c1-8-2-4-10(5-3-8)15(13,14)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3
InChIKey GIPUJWOQHYHQEJ-UHFFFAOYSA-N
Molecular Weight 248.724 g/mol
SMILES C(S(C=1C=CC(=CC1)C)(=O)=O)C(O)CCl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.943447