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tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]-3,3-bis(ethoxymethyl)cyclobutyl}propionate
SpectraBase Compound ID 9a832Y4Kgno
InChI InChI=1S/C25H39ClO5S/c1-8-29-16-24(17-30-9-2)14-25(15-24,19(4)21(27)31-23(5,6)7)22(26)32(28)20-12-10-18(3)11-13-20/h10-13,19,22H,8-9,14-17H2,1-7H3
InChIKey SECBMDJDIVSMSR-UHFFFAOYSA-N
Mol Weight 487.1 g/mol
Molecular Formula C25H39ClO5S
Exact Mass 486.220673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5EOdsxMmgtD
Name tert-Butyl 2-{1-[chloro(p-tolylsulfinyl)methyl]-3,3-bis(ethoxymethyl)cyclobutyl}propionate
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Formula C25H39ClO5S
InChI InChI=1S/C25H39ClO5S/c1-8-29-16-24(17-30-9-2)14-25(15-24,19(4)21(27)31-23(5,6)7)22(26)32(28)20-12-10-18(3)11-13-20/h10-13,19,22H,8-9,14-17H2,1-7H3
InChIKey SECBMDJDIVSMSR-UHFFFAOYSA-N
Molecular Weight 487.095 g/mol
SMILES C1(C(S(c2ccc(cc2)C)=O)Cl)(C(C(OC(C)(C)C)=O)C)CC(C1)(COCC)COCC
SPLASH splash10-0zfu-3930100000-c311c5ac71e0a4fba6cf
Source of Spectrum F-67-1108-14a
Wiley ID 1685749