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(E)-2,5-dimethyl-3-tosyl-2-hexene-1,4-diol
SpectraBase Compound ID 71cqx9foHfN
InChI InChI=1S/C15H22O4S/c1-10(2)14(17)15(12(4)9-16)20(18,19)13-7-5-11(3)6-8-13/h5-8,10,14,16-17H,9H2,1-4H3/b15-12+
InChIKey BFOWFCNBXJEJBY-NTCAYCPXSA-N
Mol Weight 298.4 g/mol
Molecular Formula C15H22O4S
Exact Mass 298.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uIyFTB9JtD
Name (E)-2,5-dimethyl-3-tosyl-2-hexene-1,4-diol
Alternate Name(s) (2E)-2,5-dimethyl-3-[(4-methylphenyl)sulfonyl]-2-hexene-1,4-diol
CAS Registry Number 118356-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4S
InChI InChI=1S/C15H22O4S/c1-10(2)14(17)15(12(4)9-16)20(18,19)13-7-5-11(3)6-8-13/h5-8,10,14,16-17H,9H2,1-4H3/b15-12+
InChIKey BFOWFCNBXJEJBY-NTCAYCPXSA-N
Molecular Weight 298.397 g/mol
SMILES OC\C(=C/(C(C(C)C)O)S(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-0a4l-6910000000-59b2a3860e92c8fe163c
Source of Spectrum J-54-1497-10
Wiley ID 1300734