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8-[Chloro(p-tolylsulfinyl)methyl]-8-[(4-methoxyphenyl)ethynyl]-1,4-dioxaspiro[4,5]decane
SpectraBase Compound ID 1OwQuwAcAP6
InChI InChI=1S/C25H27ClO4S/c1-19-3-9-22(10-4-19)31(27)23(26)24(12-11-20-5-7-21(28-2)8-6-20)13-15-25(16-14-24)29-17-18-30-25/h3-10,23H,13-18H2,1-2H3
InChIKey SDLRPZZVAPIBPJ-UHFFFAOYSA-N
Mol Weight 459.0 g/mol
Molecular Formula C25H27ClO4S
Exact Mass 458.131858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfqzoV9sqJb
Name 8-[Chloro(p-tolylsulfinyl)methyl]-8-[(4-methoxyphenyl)ethynyl]-1,4-dioxaspiro[4,5]decane
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Formula C25H27ClO4S
InChI InChI=1S/C25H27ClO4S/c1-19-3-9-22(10-4-19)31(27)23(26)24(12-11-20-5-7-21(28-2)8-6-20)13-15-25(16-14-24)29-17-18-30-25/h3-10,23H,13-18H2,1-2H3
InChIKey SDLRPZZVAPIBPJ-UHFFFAOYSA-N
Molecular Weight 459.000 g/mol
SMILES C(S(c1ccc(cc1)C)=O)(C1(C#Cc2ccc(cc2)OC)CCC2(CC1)OCCO2)Cl
SPLASH splash10-0f6t-3893000000-23dec2761d1b00fb5d30
Source of Spectrum F-67-3087-19bp
Wiley ID 1713206