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tert-Butyl {1-[chloro(p-tolylsulfinyl)methyl]-2-phenethylcyclobutyl}acetate
SpectraBase Compound ID ILQ27hhNPLn
InChI InChI=1S/C26H33ClO3S/c1-19-10-14-22(15-11-19)31(29)24(27)26(18-23(28)30-25(2,3)4)17-16-21(26)13-12-20-8-6-5-7-9-20/h5-11,14-15,21,24H,12-13,16-18H2,1-4H3/t21?,24-,26+,31?/m0/s1
InChIKey LBOOACIKAWIKON-JUFZOAOCSA-N
Mol Weight 461.1 g/mol
Molecular Formula C26H33ClO3S
Exact Mass 460.183894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AhalmcxEV3A
Name tert-Butyl {1-[chloro(p-tolylsulfinyl)methyl]-2-phenethylcyclobutyl}acetate
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Formula C26H33ClO3S
InChI InChI=1S/C26H33ClO3S/c1-19-10-14-22(15-11-19)31(29)24(27)26(18-23(28)30-25(2,3)4)17-16-21(26)13-12-20-8-6-5-7-9-20/h5-11,14-15,21,24H,12-13,16-18H2,1-4H3/t21?,24-,26+,31?/m0/s1
InChIKey LBOOACIKAWIKON-JUFZOAOCSA-N
Molecular Weight 461.060 g/mol
SMILES [C@@]1([C@](S(c2ccc(cc2)C)=O)(Cl)[H])(CCC1CCc1ccccc1)CC(OC(C)(C)C)=O
SPLASH splash10-0006-4910000000-805c4bd92409da6d7352
Source of Spectrum F-67-1109-20b
Synonyms {(R)-1-[(R)-Chloro-(toluene-4-sulfinyl)-methyl]-2-phenethyl-cyclobutyl}-acetic acid tert-butyl ester
Wiley ID 1713130