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Ethyl S-(1,4-di[13C]-3-oxobut-2-yl)dithiocarbonate
SpectraBase Compound ID JcE7xyxCyrN
InChI InChI=1S/C7H12O2S2/c1-4-9-7(10)11-6(3)5(2)8/h6H,4H2,1-3H3/i2+1,3+1
InChIKey YUTQMCUIQDTDSI-SUEIGJEOSA-N
Mol Weight 194.28 g/mol
Molecular Formula C513C2H12O2S2
Exact Mass 194.034582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41Kx1MawW9M
Name Ethyl S-(1,4-di[13C]-3-oxobut-2-yl)dithiocarbonate
Alternate Name(s) (3-oxobutan-2-ylthio)methanethioic acid O-ethyl ester O-ethyl 3-oxobutan-2-ylsulfanylmethanethioate O-ethyl (1-methyl-2-oxo-propyl)sulfanylmethanethioate O-ethyl 3-oxidanylidenebutan-2-ylsulfanylmethanethioate
Comments Original formula: C5[13C]2H12O2S2
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Formula C7H12O2S2
InChI InChI=1S/C7H12O2S2/c1-4-9-7(10)11-6(3)5(2)8/h6H,4H2,1-3H3/i2+1,3+1
InChIKey YUTQMCUIQDTDSI-SUEIGJEOSA-N
Molecular Weight 194.276 g/mol
SMILES [13CH3]C(C(SC(=S)OCC)[13CH3])=O
SPLASH splash10-03dj-0900000000-49bc0c052ebf5a04ba81
Source of Spectrum SK-30-2682-6
Wiley ID 881511