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7-(hydroxymethyl)-6-(4-methylphenyl)sulfonyl-oct-7-en-3-one
SpectraBase Compound ID 3Bc7w8eo4GZ
InChI InChI=1S/C16H22O4S/c1-4-14(18)7-10-16(13(3)11-17)21(19,20)15-8-5-12(2)6-9-15/h5-6,8-9,16-17H,3-4,7,10-11H2,1-2H3
InChIKey HIJBVQWBSKMRCW-UHFFFAOYSA-N
Mol Weight 310.41 g/mol
Molecular Formula C16H22O4S
Exact Mass 310.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jdeVd5rMeW
Name 7-(hydroxymethyl)-6-(4-methylphenyl)sulfonyl-oct-7-en-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-4-14(18)7-10-16(13(3)11-17)21(19,20)15-8-5-12(2)6-9-15/h5-6,8-9,16-17H,3-4,7,10-11H2,1-2H3
InChIKey HIJBVQWBSKMRCW-UHFFFAOYSA-N
Molecular Weight 310.408 g/mol
SMILES OCC(C(S(c1ccc(cc1)C)(=O)=O)CCC(=O)CC)=C
SPLASH splash10-0a4r-0910000000-b049eecfc2ec604a0626
Source of Spectrum F-50-6613-16
Synonyms 7-(hydroxymethyl)-6-(p-tolylsulfonyl)oct-7-en-3-one 7-Methylol-6-tosyl-oct-7-en-3-one 7-(hydroxymethyl)-6-(4-methylphenyl)sulfonyl-7-octen-3-one
Wiley ID 1311393