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4-[(4S,5S)-5-decyl-2,2-diketo-1,3,2-dioxathiolan-4-yl]butyric acid methyl ester
SpectraBase Compound ID CYfxsnJHojL
InChI InChI=1S/C17H32O6S/c1-3-4-5-6-7-8-9-10-12-15-16(23-24(19,20)22-15)13-11-14-17(18)21-2/h15-16H,3-14H2,1-2H3/t15-,16-/m0/s1
InChIKey LQNZDOTUKXALHV-HOTGVXAUSA-N
Mol Weight 364.5 g/mol
Molecular Formula C17H32O6S
Exact Mass 364.19196 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8CYmTAiXnR
Name 4-[(4S,5S)-5-decyl-2,2-diketo-1,3,2-dioxathiolan-4-yl]butyric acid methyl ester
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Formula C17H32O6S
InChI InChI=1S/C17H32O6S/c1-3-4-5-6-7-8-9-10-12-15-16(23-24(19,20)22-15)13-11-14-17(18)21-2/h15-16H,3-14H2,1-2H3/t15-,16-/m0/s1
InChIKey LQNZDOTUKXALHV-HOTGVXAUSA-N
Molecular Weight 364.497 g/mol
SMILES [C@@]1(OS(O[C@]1(CCCC(=O)OC)[H])(=O)=O)(CCCCCCCCCC)[H]
SPLASH splash10-0lyp-3944000000-e19575a343df63d5c343
Source of Spectrum QC-8-636-2
Synonyms 4-[(4S,5S)-5-decyl-2,2-dioxo-1,3,2-dioxathiolan-4-yl]butanoic acid methyl ester Methyl 4-[(4S,5S)-5-decyl-2,2-bis(oxidanylidene)-1,3,2-dioxathiolan-4-yl]butanoate Methyl 4-[(4S,5S)-5-decyl-2,2-dioxo-1,3,2-dioxathiolan-4-yl]butanoate
Wiley ID 869705