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3-Octanone, 2-hydroxy-2-methyl-4-(phenylthio)-

View entire compound with spectra: 1 MS (GC)

3-Octanone, 2-hydroxy-2-methyl-4-(phenylthio)-
SpectraBase Compound ID GyQ75ocraqv
InChI InChI=1S/C15H22O2S/c1-4-5-11-13(14(16)15(2,3)17)18-12-9-7-6-8-10-12/h6-10,13,17H,4-5,11H2,1-3H3
InChIKey CYLBATUCEKKLMS-UHFFFAOYSA-N
Mol Weight 266.4 g/mol
Molecular Formula C15H22O2S
Exact Mass 266.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5eUCJMpr0eQ
Name 3-Octanone, 2-hydroxy-2-methyl-4-(phenylthio)-
CAS Registry Number 131864-16-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O2S
InChI InChI=1S/C15H22O2S/c1-4-5-11-13(14(16)15(2,3)17)18-12-9-7-6-8-10-12/h6-10,13,17H,4-5,11H2,1-3H3
InChIKey CYLBATUCEKKLMS-UHFFFAOYSA-N
Molecular Weight 266.399 g/mol
SMILES OC(C(C(Sc1ccccc1)CCCC)=O)(C)C
SPLASH splash10-0991-3940000000-fd3b3c39846c7dc456d6
Source of Spectrum J-56-1161-25
Synonyms 2-Hydroxy-2-methyl-4-(phenylsulfanyl)-3-octanone 2-Hydroxy-2-methyl-4-(phenylthio)octan-3-one
Wiley ID 1269997