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Methyl (2R,3R,4S)-[4-(Benzenesulfonyl)-4-butyl-5-oxo-2-propyltetrahydrofuran-3-yl]acetate
SpectraBase Compound ID 8IXfHUMW8J
InChI InChI=1S/C20H28O6S/c1-4-6-13-20(27(23,24)15-11-8-7-9-12-15)16(14-18(21)25-3)17(10-5-2)26-19(20)22/h7-9,11-12,16-17H,4-6,10,13-14H2,1-3H3/t16-,17-,20+/m1/s1
InChIKey YMXXUWZGAGONDI-HLIPFELVSA-N
Mol Weight 396.5 g/mol
Molecular Formula C20H28O6S
Exact Mass 396.16066 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2abFzL4WqO
Name Methyl (2R,3R,4S)-[4-(Benzenesulfonyl)-4-butyl-5-oxo-2-propyltetrahydrofuran-3-yl]acetate
Alternate Name(s) Methyl[(2R,3R,4S)-4-butyl-5-oxo-4-(phenylsulfonyl)-2-propyltetrahydro-3-furanyl]acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O6S
InChI InChI=1S/C20H28O6S/c1-4-6-13-20(27(23,24)15-11-8-7-9-12-15)16(14-18(21)25-3)17(10-5-2)26-19(20)22/h7-9,11-12,16-17H,4-6,10,13-14H2,1-3H3/t16-,17-,20+/m1/s1
InChIKey YMXXUWZGAGONDI-HLIPFELVSA-N
Molecular Weight 396.498 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)(C(O[C@@]([C@]1(CC(=O)OC)[H])(CCC)[H])=O)CCCC
SPLASH splash10-052b-0693000000-571788c5a0882cce1953
Source of Spectrum J-59-8085-10
Wiley ID 1367379