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Butanoic acid, 4-(butylthio)-2-methyl-4-oxo-, ethyl ester
SpectraBase Compound ID 2atP2bnZpmQ
InChI InChI=1S/C11H20O3S/c1-4-6-7-15-10(12)8-9(3)11(13)14-5-2/h9H,4-8H2,1-3H3
InChIKey FESCFTKIMHXMKT-UHFFFAOYSA-N
Mol Weight 232.34 g/mol
Molecular Formula C11H20O3S
Exact Mass 232.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DN8nxtrktaz
Name Butanoic acid, 4-(butylthio)-2-methyl-4-oxo-, ethyl ester
CAS Registry Number 108349-22-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O3S
InChI InChI=1S/C11H20O3S/c1-4-6-7-15-10(12)8-9(3)11(13)14-5-2/h9H,4-8H2,1-3H3
InChIKey FESCFTKIMHXMKT-UHFFFAOYSA-N
Molecular Weight 232.338 g/mol
SMILES C(C(CC(=O)SCCCC)C)(=O)OCC
SPLASH splash10-00kf-5900000000-6566ea602d0cebb7ae67
Source of Spectrum KC-1986-1142-0
Synonyms Ethyl 4-(butylsulfanyl)-2-methyl-4-oxobutanoate O-ethyl S-butyl 3-methylmonothiosuccinate
Wiley ID 1233487