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4,6-bis(Acetoxy)-5-hydroxy-2-hexenal - diethyl-ditho acetal
SpectraBase Compound ID GzV2xoClkUR
InChI InChI=1S/C14H24O5S2/c1-5-20-14(21-6-2)8-7-13(19-11(4)16)12(17)9-18-10(3)15/h7-8,12-14,17H,5-6,9H2,1-4H3/b8-7+/t12-,13+/m1/s1
InChIKey VCPLONQOGAYOJR-NAISLTENSA-N
Mol Weight 336.46 g/mol
Molecular Formula C14H24O5S2
Exact Mass 336.106516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47R4BdRrbWw
Name 4,6-bis(Acetoxy)-5-hydroxy-2-hexenal - diethyl-ditho acetal
Alternate Name(s) Acetic acid (E)-(S)-1-((R)-2-acetoxy-1-hydroxy-ethyl)-4,4-bis-ethylsulfanyl-but-2-enyl ester Acetic acid [(E,2R,3S)-3-acetyloxy-6,6-bis(ethylthio)-2-hydroxyhex-4-enyl] ester [(E,2R,3S)-3-acetyloxy-6,6-bis(ethylsulfanyl)-2-hydroxyhex-4-enyl] acetate [(E,2R,3S)-3-acetoxy-6,6-bis(ethylsulfanyl)-2-hydroxy-hex-4-enyl] acetate [(E,2R,3S)-3-acetyloxy-6,6-bis(ethylsulfanyl)-2-oxidanyl-hex-4-enyl] ethanoate
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Formula C14H24O5S2
InChI InChI=1S/C14H24O5S2/c1-5-20-14(21-6-2)8-7-13(19-11(4)16)12(17)9-18-10(3)15/h7-8,12-14,17H,5-6,9H2,1-4H3/b8-7+/t12-,13+/m1/s1
InChIKey VCPLONQOGAYOJR-NAISLTENSA-N
Molecular Weight 336.461 g/mol
SMILES O[C@@]([C@](\C=C\C(SCC)SCC)(OC(=O)C)[H])(COC(=O)C)[H]
SPLASH splash10-0006-9200000000-6ba04bf68ac6a5d94699
Source of Spectrum SK-30-209-8
Wiley ID 881042