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(3S*,4R*,sS*)-tert-Butyl 4-chloro-3-(2-thienyl)-4-(p-tolylsulfinyl)butanoate
SpectraBase Compound ID JPxlro94CMD
InChI InChI=1S/C19H23ClO3S2/c1-13-7-9-14(10-8-13)25(22)18(20)15(16-6-5-11-24-16)12-17(21)23-19(2,3)4/h5-11,15,18H,12H2,1-4H3/t15-,18?,25?/m0/s1
InChIKey BMZIOMVNDAMKRN-URFIDEGYSA-N
Mol Weight 398.96 g/mol
Molecular Formula C19H23ClO3S2
Exact Mass 398.077715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnicZzoNUYt
Name (3S*,4R*,sS*)-tert-Butyl 4-chloro-3-(2-thienyl)-4-(p-tolylsulfinyl)butanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23ClO3S2
InChI InChI=1S/C19H23ClO3S2/c1-13-7-9-14(10-8-13)25(22)18(20)15(16-6-5-11-24-16)12-17(21)23-19(2,3)4/h5-11,15,18H,12H2,1-4H3/t15-,18?,25?/m0/s1
InChIKey BMZIOMVNDAMKRN-URFIDEGYSA-N
Molecular Weight 398.963 g/mol
SMILES [C@](C([S@](c1ccc(C)cc1)=O)Cl)(c1sccc1)(CC(OC(C)(C)C)=O)[H]
SPLASH splash10-052f-4911000000-e419bf2240b36654b7b7
Source of Spectrum F-65-623-31e
Wiley ID 1682183