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(2S,1'R)-(-)-2-[1-o-(p-tolylsulfonyl)-2-o-pivaloylethyl]-2,5-dihydrofuran
SpectraBase Compound ID 1v40x9dkRaa
InChI InChI=1S/C18H24O6S/c1-13-7-9-14(10-8-13)25(20,21)24-16(15-6-5-11-22-15)12-23-17(19)18(2,3)4/h5-10,15-16H,11-12H2,1-4H3/t15-,16+/m0/s1
InChIKey NSRXGCRSCHRUMY-JKSUJKDBSA-N
Mol Weight 368.44 g/mol
Molecular Formula C18H24O6S
Exact Mass 368.12936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LNoreEL1R8I
Name (2S,1'R)-(-)-2-[1-o-(p-tolylsulfonyl)-2-o-pivaloylethyl]-2,5-dihydrofuran
Comments Computed using HOSE algorithm
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Exact Mass 368.129359661 u
Formula C18H24O6S
InChI InChI=1S/C18H24O6S/c1-13-7-9-14(10-8-13)25(20,21)24-16(15-6-5-11-22-15)12-23-17(19)18(2,3)4/h5-10,15-16H,11-12H2,1-4H3/t15-,16+/m0/s1
InChIKey NSRXGCRSCHRUMY-JKSUJKDBSA-N
Molecular Weight 368.444 g/mol
SMILES [C@@](OS(C=1C=CC(=CC1)C)(=O)=O)([C@]1(OCC=C1)[H])(COC(C(C)(C)C)=O)[H]