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2-[3-(phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester
SpectraBase Compound ID AsuSEB1TwuP
InChI InChI=1S/C22H26O6SSe/c1-16-9-11-17(12-10-16)29(25,26)15-19(30-18-7-5-4-6-8-18)13-14-20(21(23)27-2)22(24)28-3/h4-12,19-20H,13-15H2,1-3H3
InChIKey ZIQXCRUDUUCHGJ-UHFFFAOYSA-N
Mol Weight 497.48 g/mol
Molecular Formula C22H26O6SSe
Exact Mass 498.061532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AOZMZQlGXp
Name 2-[3-(phenylseleno)-4-tosyl-butyl]malonic acid dimethyl ester
Alternate Name(s) 2-[4-(4-methylphenyl)sulfonyl-3-(phenylseleno)butyl]propanedioic acid dimethyl ester Dimethyl 2-[3-phenylselanyl-4-(p-tolylsulfonyl)butyl]propanedioate Dimethyl 2-[4-(4-methylphenyl)sulfonyl-3-phenylselanyl-butyl]propanedioate
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Formula C22H26O6SSe
InChI InChI=1S/C22H26O6SSe/c1-16-9-11-17(12-10-16)29(25,26)15-19(30-18-7-5-4-6-8-18)13-14-20(21(23)27-2)22(24)28-3/h4-12,19-20H,13-15H2,1-3H3
InChIKey ZIQXCRUDUUCHGJ-UHFFFAOYSA-N
Molecular Weight 497.476 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)C([Se]c1ccccc1)CCC(C(=O)OC)C(=O)OC
SPLASH splash10-000i-0912200000-06983cc3c91904a0a069
Source of Spectrum SK-23-3556-2
Wiley ID 865804