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Methyl (2S,3S,4S)-[2-Methyl23-(4-methylpentyl)-5-oxo-4-[(phenylthio)tetrahydrofuran-3-yl]acetate
SpectraBase Compound ID CpcwyzoTcA8
InChI InChI=1S/C20H28O4S/c1-14(2)9-8-12-20(3)16(13-17(21)23-4)18(19(22)24-20)25-15-10-6-5-7-11-15/h5-7,10-11,14,16,18H,8-9,12-13H2,1-4H3/t16-,18-,20+/m1/s1
InChIKey DMBOWHAJBBQSNX-POAQFYNOSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H28O4S
Exact Mass 364.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Yqf7AHELw
Name Methyl (2S,3S,4S)-[2-Methyl23-(4-methylpentyl)-5-oxo-4-[(phenylthio)tetrahydrofuran-3-yl]acetate
Alternate Name(s) Methyl (2S,3S,4S)-[2-Methyl-2-(4-methylpentyl)-5-oxo-4-[(phenylthio)tetrahydrofuran-3-yl]acetate 2-[(2S,3S,4R)-2-methyl-2-(4-methylpentyl)-5-oxo-4-(phenylthio)-3-oxolanyl]acetic acid methyl ester Methyl 2-[(2S,3S,4R)-2-methyl-2-(4-methylpentyl)-5-oxo-4-phenylsulfanyloxolan-3-yl]acetate Methyl 2-[(2S,3S,4R)-2-isohexyl-2-methyl-5-oxo-4-phenylsulfanyl-tetrahydrofuran-3-yl]acetate Methyl 2-[(2S,3S,4R)-2-methyl-2-(4-methylpentyl)-5-oxidanylidene-4-phenylsulfanyl-oxolan-3-yl]ethanoate
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Formula C20H28O4S
InChI InChI=1S/C20H28O4S/c1-14(2)9-8-12-20(3)16(13-17(21)23-4)18(19(22)24-20)25-15-10-6-5-7-11-15/h5-7,10-11,14,16,18H,8-9,12-13H2,1-4H3/t16-,18-,20+/m1/s1
InChIKey DMBOWHAJBBQSNX-POAQFYNOSA-N
Molecular Weight 364.500 g/mol
SMILES C1([C@@]([C@](CC(=O)OC)([H])[C@@](O1)(CCCC(C)C)C)(Sc1ccccc1)[H])=O
SPLASH splash10-0aos-6912000000-e197fbd7485a8210cf63
Source of Spectrum J-59-4470-30
Wiley ID 1350771