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2-Chloro-2-(methylthio)dimedone
SpectraBase Compound ID 2BYLvskPRTL
InChI InChI=1S/C9H13ClO2S/c1-8(2)4-6(11)9(10,13-3)7(12)5-8/h4-5H2,1-3H3
InChIKey QTXVODUWWPUUGV-UHFFFAOYSA-N
Mol Weight 220.71 g/mol
Molecular Formula C9H13ClO2S
Exact Mass 220.032479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfKm90yQNCh
Name 2-Chloro-2-(methylthio)dimedone
CAS Registry Number 79255-36-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13ClO2S
InChI InChI=1S/C9H13ClO2S/c1-8(2)4-6(11)9(10,13-3)7(12)5-8/h4-5H2,1-3H3
InChIKey QTXVODUWWPUUGV-UHFFFAOYSA-N
Molecular Weight 220.714 g/mol
SMILES C1(C(CC(CC1=O)(C)C)=O)(SC)Cl
SPLASH splash10-001i-9230000000-597fcbaaa7adc4079538
Source of Spectrum J-46-4914-0
Synonyms 2-Chloro-5,5-dimethyl-2-(methylsulfanyl)-1,3-cyclohexanedione
Wiley ID 1219333