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(E)-6-methyl-4-tosyl-3-heptene-2,5-diol
SpectraBase Compound ID Ee2PQEVAkfB
InChI InChI=1S/C15H22O4S/c1-10(2)15(17)14(9-12(4)16)20(18,19)13-7-5-11(3)6-8-13/h5-10,12,15-17H,1-4H3/b14-9+
InChIKey AWEBLMVCBWVCCA-NTEUORMPSA-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 7ydJfEjJbmr
Name (E)-6-methyl-4-tosyl-3-heptene-2,5-diol
CAS Registry Number 118356-27-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O4S
InChI InChI=1S/C15H22O4S/c1-10(2)15(17)14(9-12(4)16)20(18,19)13-7-5-11(3)6-8-13/h5-10,12,15-17H,1-4H3/b14-9+
InChIKey AWEBLMVCBWVCCA-NTEUORMPSA-N
Molecular Weight 298.397 g/mol
SMILES OC(\C=C/(C(C(C)C)O)S(c1ccc(cc1)C)(=O)=O)C
SPLASH splash10-052f-9600000000-d25fee186d074d46b133
Source of Spectrum J-54-1497-10
Synonyms (3E)-6-methyl-4-[(4-methylphenyl)sulfonyl]-3-heptene-2,5-diol
Wiley ID 1300733