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(E)-1-phenyl-2-tosyl-2-butene-1,4-diol
SpectraBase Compound ID EoTncJkNCH0
InChI InChI=1S/C17H18O4S/c1-13-7-9-15(10-8-13)22(20,21)16(11-12-18)17(19)14-5-3-2-4-6-14/h2-11,17-19H,12H2,1H3/b16-11+
InChIKey ARFQRSZQOZTDQV-LFIBNONCSA-N
Mol Weight 318.39 g/mol
Molecular Formula C17H18O4S
Exact Mass 318.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KiA6ZbUE1c
Name (E)-1-phenyl-2-tosyl-2-butene-1,4-diol
Alternate Name(s) (2E)-2-[(4-methylphenyl)sulfonyl]-1-phenyl-2-butene-1,4-diol
CAS Registry Number 118356-24-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18O4S
InChI InChI=1S/C17H18O4S/c1-13-7-9-15(10-8-13)22(20,21)16(11-12-18)17(19)14-5-3-2-4-6-14/h2-11,17-19H,12H2,1H3/b16-11+
InChIKey ARFQRSZQOZTDQV-LFIBNONCSA-N
Molecular Weight 318.387 g/mol
SMILES OC(\C(=C/CO)S(c1ccc(cc1)C)(=O)=O)c1ccccc1
SPLASH splash10-016u-9500000000-2555d2d110d357ccb840
Source of Spectrum J-54-1497-10
Wiley ID 1318366