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4-Hydroxy-4-(4-phenylsulfanyltetrahydrothiopyran-4-yl)butan-2-one
SpectraBase Compound ID 1OU2wBm4JTM
InChI InChI=1S/C15H20O2S2/c1-12(16)11-14(17)15(7-9-18-10-8-15)19-13-5-3-2-4-6-13/h2-6,14,17H,7-11H2,1H3
InChIKey PABUTHHWTVAIBT-UHFFFAOYSA-N
Mol Weight 296.44 g/mol
Molecular Formula C15H20O2S2
Exact Mass 296.090472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nanInwXRdF
Name 4-Hydroxy-4-(4-phenylsulfanyltetrahydrothiopyran-4-yl)butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O2S2
InChI InChI=1S/C15H20O2S2/c1-12(16)11-14(17)15(7-9-18-10-8-15)19-13-5-3-2-4-6-13/h2-6,14,17H,7-11H2,1H3
InChIKey PABUTHHWTVAIBT-UHFFFAOYSA-N
Molecular Weight 296.443 g/mol
SMILES OC(C1(Sc2ccccc2)CCSCC1)CC(=O)C
SPLASH splash10-03dj-7940000000-935f2a8f12fbdffc027e
Source of Spectrum KC-0-1911-36
Synonyms 4-Hydroxy-4-(4-phenylsulfanylthian-4-yl)butan-2-one 4-Hydroxy-4-[4-(phenylthio)-4-thianyl]-2-butanone 4-Hydroxy-4-[4-(phenylthio)tetrahydrothiopyran-4-yl]butan-2-one 4-Oxidanyl-4-(4-phenylsulfanylthian-4-yl)butan-2-one
Wiley ID 831138