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(E)-3-methyl-1-phenyl-2-tosyl-2-butene-1,4-diol
SpectraBase Compound ID BvF57k0PCRR
InChI InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)18(14(2)12-19)17(20)15-6-4-3-5-7-15/h3-11,17,19-20H,12H2,1-2H3/b18-14+
InChIKey GCKHCRJPSUAZJV-NBVRZTHBSA-N
Mol Weight 332.41 g/mol
Molecular Formula C18H20O4S
Exact Mass 332.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IDbETGL1XDg
Name (E)-3-methyl-1-phenyl-2-tosyl-2-butene-1,4-diol
CAS Registry Number 118356-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4S
InChI InChI=1S/C18H20O4S/c1-13-8-10-16(11-9-13)23(21,22)18(14(2)12-19)17(20)15-6-4-3-5-7-15/h3-11,17,19-20H,12H2,1-2H3/b18-14+
InChIKey GCKHCRJPSUAZJV-NBVRZTHBSA-N
Molecular Weight 332.414 g/mol
SMILES OC\C(=C/(C(c1ccccc1)O)S(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0006-9300000000-454082f3d52ce47ca47e
Source of Spectrum J-54-1498-10
Synonyms (2E)-3-methyl-2-[(4-methylphenyl)sulfonyl]-1-phenyl-2-butene-1,4-diol
Wiley ID 1329327