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1-(p-Toluenesulfonyl)-2-[3-(p-tolylsulfonyloxy)butyl]indole
SpectraBase Compound ID GpTnFpWjJCe
InChI InChI=1S/C26H27NO5S2/c1-19-8-14-24(15-9-19)33(28,29)27-23(18-22-6-4-5-7-26(22)27)13-12-21(3)32-34(30,31)25-16-10-20(2)11-17-25/h4-11,14-18,21H,12-13H2,1-3H3
InChIKey PRCGRGUDRKJMQL-UHFFFAOYSA-N
Mol Weight 497.62 g/mol
Molecular Formula C26H27NO5S2
Exact Mass 497.133065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Pkscz8lh2j
Name 1-(p-Toluenesulfonyl)-2-[3-(p-tolylsulfonyloxy)butyl]indole
Comments Less than 3 mono-isotopic peaks
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Formula C26H27NO5S2
InChI InChI=1S/C26H27NO5S2/c1-19-8-14-24(15-9-19)33(28,29)27-23(18-22-6-4-5-7-26(22)27)13-12-21(3)32-34(30,31)25-16-10-20(2)11-17-25/h4-11,14-18,21H,12-13H2,1-3H3
InChIKey PRCGRGUDRKJMQL-UHFFFAOYSA-N
Molecular Weight 497.624 g/mol
SMILES c1([n](c2ccccc2c1)S(=O)(=O)c1ccc(cc1)C)CCC(C)OS(=O)(=O)c1ccc(cc1)C
SPLASH splash10-00di-0900100000-a811b44e27258b732e75
Source of Spectrum F-69-1135-22
Synonyms 1-methyl-3-{1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}propyl 4-methylbenzenesulfonate
Wiley ID 1594688