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Syn.-Isopropyl 2-(1-Hydroxyethyl)pent-4-enedithioate isomer
SpectraBase Compound ID J8mEdlvwLvQ
InChI InChI=1S/C10H18OS2/c1-5-6-9(8(4)11)10(12)13-7(2)3/h5,7-9,11H,1,6H2,2-4H3/t8?,9-/m0/s1
InChIKey XMCWIEMGTRWCOD-GKAPJAKFSA-N
Mol Weight 218.37 g/mol
Molecular Formula C10H18OS2
Exact Mass 218.079908 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgdqZ95fHg
Name Syn.-Isopropyl 2-(1-Hydroxyethyl)pent-4-enedithioate isomer
Alternate Name(s) isopropyl (2S)-2-(1-hydroxyethyl)-4-pentenedithioate
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Formula C10H18OS2
InChI InChI=1S/C10H18OS2/c1-5-6-9(8(4)11)10(12)13-7(2)3/h5,7-9,11H,1,6H2,2-4H3/t8?,9-/m0/s1
InChIKey XMCWIEMGTRWCOD-GKAPJAKFSA-N
Molecular Weight 218.373 g/mol
SMILES OC([C@@](C(SC(C)C)=S)(CC=C)[H])C
SPLASH splash10-014l-4590000000-c81fbbecc22385f3270f
Source of Spectrum F-47-6284-43
Wiley ID 1217237