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(3S*,4R*,sS*)-tert-Butyl 4-chloro-3-(1-naphthyl)-4-(p-tolylsulfinyl)butyrate
SpectraBase Compound ID IIZ47hisYJX
InChI InChI=1S/C25H27ClO3S/c1-17-12-14-19(15-13-17)30(28)24(26)22(16-23(27)29-25(2,3)4)21-11-7-9-18-8-5-6-10-20(18)21/h5-15,22,24H,16H2,1-4H3/t22-,24?,30?/m0/s1
InChIKey PYCMNOCXNHGNRH-GPXNNTPQSA-N
Mol Weight 443.0 g/mol
Molecular Formula C25H27ClO3S
Exact Mass 442.136944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JeIH7VNIfHl
Name (3S*,4R*,sS*)-tert-Butyl 4-chloro-3-(1-naphthyl)-4-(p-tolylsulfinyl)butyrate
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Formula C25H27ClO3S
InChI InChI=1S/C25H27ClO3S/c1-17-12-14-19(15-13-17)30(28)24(26)22(16-23(27)29-25(2,3)4)21-11-7-9-18-8-5-6-10-20(18)21/h5-15,22,24H,16H2,1-4H3/t22-,24?,30?/m0/s1
InChIKey PYCMNOCXNHGNRH-GPXNNTPQSA-N
Molecular Weight 443.001 g/mol
SMILES C([S@](c1ccc(cc1)C)=O)([C@](c1c2c(ccc1)cccc2)(CC(OC(C)(C)C)=O)[H])Cl
SPLASH splash10-07bf-4970000000-bd15e73ebee873bc9013
Source of Spectrum F-65-619-20f
Wiley ID 1682193