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(3S*,4R*,sS*)-tert-Butyl 4-chloro-3-(4-methylsulfanylphenyl)-4-(p-tolylsulfinyl)butanoate
SpectraBase Compound ID mUJa8S1MmH
InChI InChI=1S/C22H27ClO3S2/c1-15-6-12-18(13-7-15)28(25)21(23)19(14-20(24)26-22(2,3)4)16-8-10-17(27-5)11-9-16/h6-13,19,21H,14H2,1-5H3/t19-,21?,28?/m0/s1
InChIKey ZDMXKQWDSNGAMR-SSBCPRNVSA-N
Mol Weight 439.03 g/mol
Molecular Formula C22H27ClO3S2
Exact Mass 438.109015 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGmBksL3aAb
Name (3S*,4R*,sS*)-tert-Butyl 4-chloro-3-(4-methylsulfanylphenyl)-4-(p-tolylsulfinyl)butanoate
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Formula C22H27ClO3S2
InChI InChI=1S/C22H27ClO3S2/c1-15-6-12-18(13-7-15)28(25)21(23)19(14-20(24)26-22(2,3)4)16-8-10-17(27-5)11-9-16/h6-13,19,21H,14H2,1-5H3/t19-,21?,28?/m0/s1
InChIKey ZDMXKQWDSNGAMR-SSBCPRNVSA-N
Molecular Weight 439.028 g/mol
SMILES C([S@](c1ccc(C)cc1)=O)([C@@](CC(OC(C)(C)C)=O)(c1ccc(cc1)SC)[H])Cl
SPLASH splash10-052f-4591000000-47393049f17893529464
Source of Spectrum F-65-622-31b
Wiley ID 1682185