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(+-) Methyl (Cyclohexylsulfinyl)acetate
SpectraBase Compound ID 3K9DWygButv
InChI InChI=1S/C9H16O3S/c1-7(9(10)11)13(12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey GGZDDNFLOWFDQH-UHFFFAOYSA-N
Mol Weight 204.28 g/mol
Molecular Formula C9H16O3S
Exact Mass 204.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LIOazBBFajK
Name (+-) Methyl (Cyclohexylsulfinyl)acetate
Comments Less than 3 mono-isotopic peaks
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Formula C9H16O3S
InChI InChI=1S/C9H16O3S/c1-7(9(10)11)13(12)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKey GGZDDNFLOWFDQH-UHFFFAOYSA-N
Molecular Weight 204.284 g/mol
SMILES OC(C(S(=O)C1CCCCC1)C)=O
SPLASH splash10-001i-9000000000-567c8d0e96c8fa7c6648
Source of Spectrum J-57-1293-0
Synonyms 2-(cyclohexylsulfinyl)propanoic acid 2-cyclohexylsulfinylpropanoic acid
Wiley ID 1201398