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Methyl (3S,4R,5R)-3-[3-(Benzenesulfonyl)-4-[(methoxycarbonyl)methyl]-2-oxo-5-propyltetrahydrofuran-3-yl]acrylate
SpectraBase Compound ID 6rmQihlUIov
InChI InChI=1S/C20H24O8S/c1-4-8-16-15(13-18(22)27-3)20(19(23)28-16,12-11-17(21)26-2)29(24,25)14-9-6-5-7-10-14/h5-7,9-12,15-16H,4,8,13H2,1-3H3/b12-11+/t15-,16-,20+/m1/s1
InChIKey UMCLQQJANROJET-TZQZZILYSA-N
Mol Weight 424.46 g/mol
Molecular Formula C20H24O8S
Exact Mass 424.119189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9pzq8DmKpB4
Name Methyl (3S,4R,5R)-3-[3-(Benzenesulfonyl)-4-[(methoxycarbonyl)methyl]-2-oxo-5-propyltetrahydrofuran-3-yl]acrylate
Alternate Name(s) Methyl (2E)-3-[(3S,4R,5R)-4-(2-methoxy-2-oxoethyl)-2-oxo-3-(phenylsulfonyl)-5-propyltetrahydro-3-furanyl]-2-propenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O8S
InChI InChI=1S/C20H24O8S/c1-4-8-16-15(13-18(22)27-3)20(19(23)28-16,12-11-17(21)26-2)29(24,25)14-9-6-5-7-10-14/h5-7,9-12,15-16H,4,8,13H2,1-3H3/b12-11+/t15-,16-,20+/m1/s1
InChIKey UMCLQQJANROJET-TZQZZILYSA-N
Molecular Weight 424.464 g/mol
SMILES [C@]1(S(=O)(=O)c2ccccc2)(C(O[C@@]([C@]1(CC(=O)OC)[H])(CCC)[H])=O)\C=C\C(=O)OC
SPLASH splash10-0fbc-6292400000-1c907700420a396e516f
Source of Spectrum J-59-8086-11
Wiley ID 1379179