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(2E)-5-methyl-3-[(4-methylphenyl)sulfonyl]-2-hexene-1,4-diol
SpectraBase Compound ID JHRkWTo63hl
InChI InChI=1S/C14H20O4S/c1-10(2)14(16)13(8-9-15)19(17,18)12-6-4-11(3)5-7-12/h4-8,10,14-16H,9H2,1-3H3/b13-8+
InChIKey NJFKHTDQHGWEKU-MDWZMJQESA-N
Mol Weight 284.37 g/mol
Molecular Formula C14H20O4S
Exact Mass 284.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaDYU38CUQp
Name (2E)-5-methyl-3-[(4-methylphenyl)sulfonyl]-2-hexene-1,4-diol
Alternate Name(s) (E)-5-methyl-3-(4-methylphenyl)sulfonyl-2-hexene-1,4-diol (E)-5-methyl-3-(4-methylphenyl)sulfonyl-hex-2-ene-1,4-diol (E)-5-methyl-3-(p-tolylsulfonyl)hex-2-ene-1,4-diol (E)-5-methyl-3-tosyl-hex-2-ene-1,4-diol
CAS Registry Number 118356-23-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4S
InChI InChI=1S/C14H20O4S/c1-10(2)14(16)13(8-9-15)19(17,18)12-6-4-11(3)5-7-12/h4-8,10,14-16H,9H2,1-3H3/b13-8+
InChIKey NJFKHTDQHGWEKU-MDWZMJQESA-N
Molecular Weight 284.370 g/mol
SMILES OC(\C(=C/CO)S(c1ccc(cc1)C)(=O)=O)C(C)C
SPLASH splash10-0006-9100000000-d37176f0196b5ffb54f1
Source of Spectrum J-54-1497-10
Wiley ID 1287623