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tert-Butyl 4-chloro-3-(2-phenylethyl)-4-(p-tolylsulfinyl)pentanoate
SpectraBase Compound ID 2KYDyPLCjcl
InChI InChI=1S/C24H31ClO3S/c1-18-11-15-21(16-12-18)29(27)24(5,25)20(17-22(26)28-23(2,3)4)14-13-19-9-7-6-8-10-19/h6-12,15-16,20H,13-14,17H2,1-5H3
InChIKey URYRIVJTPAITNB-UHFFFAOYSA-N
Mol Weight 435.02 g/mol
Molecular Formula C24H31ClO3S
Exact Mass 434.168244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CoTtdVTU7gI
Name tert-Butyl 4-chloro-3-(2-phenylethyl)-4-(p-tolylsulfinyl)pentanoate
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Formula C24H31ClO3S
InChI InChI=1S/C24H31ClO3S/c1-18-11-15-21(16-12-18)29(27)24(5,25)20(17-22(26)28-23(2,3)4)14-13-19-9-7-6-8-10-19/h6-12,15-16,20H,13-14,17H2,1-5H3
InChIKey URYRIVJTPAITNB-UHFFFAOYSA-N
Molecular Weight 435.022 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C(CC(OC(C)(C)C)=O)CCc1ccccc1)(Cl)C
SPLASH splash10-0ufu-4697200000-ee99f01e086b91849525
Source of Spectrum F-65-625-45d
Wiley ID 1682173