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tert-Butyl{8-[chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]dec-8-yl}acetate
SpectraBase Compound ID KyahkKNB28j
InChI InChI=1S/C22H31ClO5S/c1-16-5-7-17(8-6-16)29(25)19(23)21(15-18(24)28-20(2,3)4)9-11-22(12-10-21)26-13-14-27-22/h5-8,19H,9-15H2,1-4H3
InChIKey FVMRSDLNMMSZGW-UHFFFAOYSA-N
Mol Weight 443.0 g/mol
Molecular Formula C22H31ClO5S
Exact Mass 442.158073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FP7KZgEVviG
Name tert-Butyl{8-[chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]dec-8-yl}acetate
Alternate Name(s) 2-[8-[chloro-(4-methylphenyl)sulfinylmethyl]-1,4-dioxaspiro[4.5]decan-8-yl]acetic acid tert-butyl ester tert-Butyl 2-[8-[chloro-(4-methylphenyl)sulfinylmethyl]-1,4-dioxaspiro[4.5]decan-8-yl]acetate tert-Butyl 2-[8-[chloro(p-tolylsulfinyl)methyl]-1,4-dioxaspiro[4.5]decan-8-yl]acetate tert-Butyl 2-[8-[chloranyl-(4-methylphenyl)sulfinyl-methyl]-1,4-dioxaspiro[4.5]decan-8-yl]ethanoate
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Formula C22H31ClO5S
InChI InChI=1S/C22H31ClO5S/c1-16-5-7-17(8-6-16)29(25)19(23)21(15-18(24)28-20(2,3)4)9-11-22(12-10-21)26-13-14-27-22/h5-8,19H,9-15H2,1-4H3
InChIKey FVMRSDLNMMSZGW-UHFFFAOYSA-N
Molecular Weight 442.998 g/mol
SMILES C(S(c1ccc(C)cc1)=O)(C1(CC(OC(C)(C)C)=O)CCC2(OCCO2)CC1)Cl
SPLASH splash10-01ow-2491000000-53bc1841c7cbc40cd344
Source of Spectrum F-59-4332-7a-P
Wiley ID 1678097