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2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
SpectraBase Compound ID HNjgwwaIkJV
InChI InChI=1S/C22H32O4S/c1-4-5-6-7-8-12-15-19-18(16-20(23)25-3)22(2,21(24)26-19)27-17-13-10-9-11-14-17/h9-11,13-14,18-19H,4-8,12,15-16H2,1-3H3/t18-,19-,22+/m0/s1
InChIKey VBABRJLMNWZFGC-CNNODRBYSA-N
Mol Weight 392.6 g/mol
Molecular Formula C22H32O4S
Exact Mass 392.202131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9x73qIfKDwg
Name 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester
Alternate Name(s) 2-[(2S,3S,4R)-5-keto-4-methyl-2-octyl-4-(phenylthio)tetrahydrofuran-3-yl]acetic acid methyl ester Methyl 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate Methyl 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate Methyl 2-[(2S,3S,4R)-4-methyl-2-octyl-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate
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Formula C22H32O4S
InChI InChI=1S/C22H32O4S/c1-4-5-6-7-8-12-15-19-18(16-20(23)25-3)22(2,21(24)26-19)27-17-13-10-9-11-14-17/h9-11,13-14,18-19H,4-8,12,15-16H2,1-3H3/t18-,19-,22+/m0/s1
InChIKey VBABRJLMNWZFGC-CNNODRBYSA-N
Molecular Weight 392.554 g/mol
SMILES [C@]1(C(O[C@]([C@@]1(CC(=O)OC)[H])(CCCCCCCC)[H])=O)(Sc1ccccc1)C
SPLASH splash10-0006-0093000000-e62bedc2b121a6a75cd8
Source of Spectrum J-61-8450-10
Wiley ID 1365837