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6,6-Dimethyl-4-tosyl-2,5-heptanedione
SpectraBase Compound ID 1aB7jX6ZngZ
InChI InChI=1S/C16H22O4S/c1-11-6-8-13(9-7-11)21(19,20)14(10-12(2)17)15(18)16(3,4)5/h6-9,14H,10H2,1-5H3
InChIKey HDSIMDIVZVJUEM-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 7YirUZBQqf4
Name 6,6-Dimethyl-4-tosyl-2,5-heptanedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4S
InChI InChI=1S/C16H22O4S/c1-11-6-8-13(9-7-11)21(19,20)14(10-12(2)17)15(18)16(3,4)5/h6-9,14H,10H2,1-5H3
InChIKey HDSIMDIVZVJUEM-UHFFFAOYSA-N
Molecular Weight 310.408 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(C(C(C)(C)C)=O)CC(=O)C
SPLASH splash10-0016-9800000000-6aa947687711d8c64270
Source of Spectrum F-51-2772-10
Synonyms 6,6-Dimethyl-4-[(4-methylphenyl)sulfonyl]-2,5-heptanedione
Wiley ID 791411