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(E)-5-hydroxy-4-tosylpent-3-en-2-one dimethyl ketal

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

(E)-5-hydroxy-4-tosylpent-3-en-2-one dimethyl ketal
SpectraBase Compound ID 35XOW0lHR9s
InChI InChI=1S/C14H20O5S/c1-11-5-7-12(8-6-11)20(16,17)13(10-15)9-14(2,18-3)19-4/h5-9,15H,10H2,1-4H3/b13-9+
InChIKey MJSCLHBGUFQLKR-UKTHLTGXSA-N
Mol Weight 300.37 g/mol
Molecular Formula C14H20O5S
Exact Mass 300.103145 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3jZGYUjhMZj
Name (E)-5-Hydroxy-4-tosylpent-3-en-2-one dimethyl ketal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.103144913 u
Formula C14H20O5S
InChI InChI=1S/C14H20O5S/c1-11-5-7-12(8-6-11)20(16,17)13(10-15)9-14(2,18-3)19-4/h5-9,15H,10H2,1-4H3/b13-9+
InChIKey MJSCLHBGUFQLKR-UKTHLTGXSA-N
SMILES C(\C=C/(S(C=1C=CC(=CC1)C)(=O)=O)CO)(OC)(OC)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.873258