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1-{2-{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(ethoxymethyl)cyclobutyl}ethoxymethyl}-p-methoxybenzene
SpectraBase Compound ID I8NL5QqQgII
InChI InChI=1S/C28H39ClO5S/c1-5-32-20-27(21-33-6-2)18-28(19-27,26(29)35(30)25-13-7-22(3)8-14-25)15-16-34-17-23-9-11-24(31-4)12-10-23/h7-14,26H,5-6,15-21H2,1-4H3
InChIKey LEPNESIXMKATNO-UHFFFAOYSA-N
Mol Weight 523.1 g/mol
Molecular Formula C28H39ClO5S
Exact Mass 522.220673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IByTmzZZXcV
Name 1-{2-{1-[Chloro(p-tolylsulfinyl)methyl]-3,3-bis(ethoxymethyl)cyclobutyl}ethoxymethyl}-p-methoxybenzene
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Formula C28H39ClO5S
InChI InChI=1S/C28H39ClO5S/c1-5-32-20-27(21-33-6-2)18-28(19-27,26(29)35(30)25-13-7-22(3)8-14-25)15-16-34-17-23-9-11-24(31-4)12-10-23/h7-14,26H,5-6,15-21H2,1-4H3
InChIKey LEPNESIXMKATNO-UHFFFAOYSA-N
Molecular Weight 523.128 g/mol
SMILES C1(C(S(c2ccc(C)cc2)=O)Cl)(CC(C1)(COCC)COCC)CCOCc1ccc(OC)cc1
SPLASH splash10-00di-0900000000-71e9f6b0b15c3d5f0fd6
Source of Spectrum F-67-1109-16
Wiley ID 1685738