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Methyl (2R,3R,4R)-[4-(Benzenesulfinyl)-4-methyl-5-oxo-2-propyl-tetrahydrofuran-3-yl]acetate
SpectraBase Compound ID 16TDfV6C5a3
InChI InChI=1S/C17H22O5S/c1-4-8-14-13(11-15(18)21-3)17(2,16(19)22-14)23(20)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8,11H2,1-3H3/t13-,14-,17-,23?/m1/s1
InChIKey ISHYSMRFPYTISY-WEAXMXDSSA-N
Mol Weight 338.42 g/mol
Molecular Formula C17H22O5S
Exact Mass 338.118795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ZnvNQD9eLw
Name Methyl (2R,3R,4R)-[4-(Benzenesulfinyl)-4-methyl-5-oxo-2-propyl-tetrahydrofuran-3-yl]acetate
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Formula C17H22O5S
InChI InChI=1S/C17H22O5S/c1-4-8-14-13(11-15(18)21-3)17(2,16(19)22-14)23(20)12-9-6-5-7-10-12/h5-7,9-10,13-14H,4,8,11H2,1-3H3/t13-,14-,17-,23?/m1/s1
InChIKey ISHYSMRFPYTISY-WEAXMXDSSA-N
Molecular Weight 338.418 g/mol
SMILES [C@]1(C(O[C@@]([C@]1(CC(=O)OC)[H])(CCC)[H])=O)(S(=O)c1ccccc1)C
SPLASH splash10-03e9-0690000000-053d4871362c3eff76e8
Source of Spectrum J-59-4471-44
Synonyms Methyl[(2R,3R,4R)-4-methyl-5-oxo-4-(phenylsulfinyl)-2-propyltetrahydro-3-furanyl]acetate
Wiley ID 1333581