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4,6-Dimethoxy-7-(4-methylphenyl)sulfanyl-heptan-2-one
SpectraBase Compound ID LOt96pQElai
InChI InChI=1S/C16H24O3S/c1-12-5-7-16(8-6-12)20-11-15(19-4)10-14(18-3)9-13(2)17/h5-8,14-15H,9-11H2,1-4H3
InChIKey VHNGFQSSFQBZOL-UHFFFAOYSA-N
Mol Weight 296.43 g/mol
Molecular Formula C16H24O3S
Exact Mass 296.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KaltOOAu7hv
Name 4,6-Dimethoxy-7-(4-methylphenyl)sulfanyl-heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O3S
InChI InChI=1S/C16H24O3S/c1-12-5-7-16(8-6-12)20-11-15(19-4)10-14(18-3)9-13(2)17/h5-8,14-15H,9-11H2,1-4H3
InChIKey VHNGFQSSFQBZOL-UHFFFAOYSA-N
Molecular Weight 296.425 g/mol
SMILES C(C(=O)C)C(CC(CSc1ccc(cc1)C)OC)OC
SPLASH splash10-0a4s-0940000000-8cea0302a2ec1e6ca806
Source of Spectrum QF-47-900-12
Synonyms 4,6-Dimethoxy-7-(p-tolylsulfanyl)heptan-2-one 4,6-Dimethoxy-7-(p-tolylthio)heptan-2-one 4,6-Dimethoxy-7-[(4-methylphenyl)thio]-2-heptanone
Wiley ID 833754