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3-(1-Methyl-2-oxo-propyl)sulfanylbutan-2-one
SpectraBase Compound ID 9ADrhHC0Qz5
InChI InChI=1S/C8H14O2S/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-4H3
InChIKey YGVGCMGLHWUOCP-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bse9dGEqlvS
Name 3-(1-Methyl-2-oxo-propyl)sulfanylbutan-2-one
CAS Registry Number 113334-17-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-4H3
InChIKey YGVGCMGLHWUOCP-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES C(SC(C(=O)C)C)(C(=O)C)C
SPLASH splash10-05bf-9100000000-64f2619dd76ffc6b8441
Source of Spectrum J-55-2088-0
Synonyms 3-(3-oxidanylidenebutan-2-ylsulfanyl)butan-2-one 3-(3-oxobutan-2-ylsulfanyl)butan-2-one 3-(3-oxobutan-2-ylthio)-2-butanone 3-[(2-keto-1-methyl-propyl)thio]butan-2-one
Wiley ID 1170237