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5-Methoxy-2,2-dimethyl-6-(methylthio)-3-heptanone
SpectraBase Compound ID Hsc3FtaeIhK
InChI InChI=1S/C11H22O2S/c1-8(14-6)9(13-5)7-10(12)11(2,3)4/h8-9H,7H2,1-6H3
InChIKey ICRSPRKVBBGRJU-UHFFFAOYSA-N
Mol Weight 218.35 g/mol
Molecular Formula C11H22O2S
Exact Mass 218.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CmhSX1aoQv2
Name 5-Methoxy-2,2-dimethyl-6-(methylthio)-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O2S
InChI InChI=1S/C11H22O2S/c1-8(14-6)9(13-5)7-10(12)11(2,3)4/h8-9H,7H2,1-6H3
InChIKey ICRSPRKVBBGRJU-UHFFFAOYSA-N
Molecular Weight 218.355 g/mol
SMILES C(CC(C(SC)C)OC)(C(C)(C)C)=O
SPLASH splash10-0a4r-9400000000-215774994265edac7c71
Source of Spectrum J-58-585-3
Synonyms 5-Methoxy-2,2-dimethyl-6-(methylsulfanyl)-3-heptanone
Wiley ID 1217376