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(-)-tert-Butyl {1-[chloro(p-tolylsulfinyl)methyl]cyclohex-2-enyl}acetate
SpectraBase Compound ID ID9cT4njulp
InChI InChI=1S/C20H27ClO3S/c1-15-8-10-16(11-9-15)25(23)18(21)20(12-6-5-7-13-20)14-17(22)24-19(2,3)4/h6,8-12,18H,5,7,13-14H2,1-4H3
InChIKey UZMBYHZOXXSKFG-UHFFFAOYSA-N
Mol Weight 382.95 g/mol
Molecular Formula C20H27ClO3S
Exact Mass 382.136944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNrGrRElNWr
Name (-)-tert-Butyl {1-[chloro(p-tolylsulfinyl)methyl]cyclohex-2-enyl}acetate
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Formula C20H27ClO3S
InChI InChI=1S/C20H27ClO3S/c1-15-8-10-16(11-9-15)25(23)18(21)20(12-6-5-7-13-20)14-17(22)24-19(2,3)4/h6,8-12,18H,5,7,13-14H2,1-4H3
InChIKey UZMBYHZOXXSKFG-UHFFFAOYSA-N
Molecular Weight 382.946 g/mol
SMILES C(CC1(C=CCCC1)C(S(=O)c1ccc(cc1)C)Cl)(=O)OC(C)(C)C
SPLASH splash10-000x-2907000000-9ef1ceff2fbf645967b1
Source of Spectrum KD-16-671-10
Synonyms tert-Butyl (1-{chloro[(4-methylphenyl)sulfinyl]methyl}-2-cyclohexen-1-yl)acetate
Wiley ID 1637421