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1,3-Butadiene, 2,3-dimethyl-1-(methylthio)-
SpectraBase Compound ID l3ZVJly62n
InChI InChI=1S/C7H12S/c1-6(2)7(3)5-8-4/h5H,1H2,2-4H3/b7-5+
InChIKey UAXUGGQLBNNZOO-FNORWQNLSA-N
Mol Weight 128.23 g/mol
Molecular Formula C7H12S
Exact Mass 128.065972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93Dl6O5aprQ
Name 1,3-Butadiene, 2,3-dimethyl-1-(methylthio)-
Alternate Name(s) (1E)-2,3-dimethyl-1,3-butadienyl methyl sulfide (1E)-2,3-dimethyl-1-(methylsulfanyl)-1,3-butadiene 1-Methylthio-2,3-dimethylbuta-1,3-diene
CAS Registry Number 38133-99-2
Comments Less than 3 mono-isotopic peaks
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Formula C7H12S
InChI InChI=1S/C7H12S/c1-6(2)7(3)5-8-4/h5H,1H2,2-4H3/b7-5+
InChIKey UAXUGGQLBNNZOO-FNORWQNLSA-N
Molecular Weight 128.233 g/mol
SMILES C(\C(=C\SC)C)(=C)C
SPLASH splash10-03xr-0900000000-41cf8ea6727837455ba2
Source of Spectrum KC-1985-1163-4
Wiley ID 1131451