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1-(p-Toluenesulfonyl)-2-[3-(p-tolylsulfonyloxy)pentyl]indole
SpectraBase Compound ID 3aqUsE1Vsmc
InChI InChI=1S/C27H29NO5S2/c1-4-24(33-35(31,32)26-17-11-21(3)12-18-26)14-13-23-19-22-7-5-6-8-27(22)28(23)34(29,30)25-15-9-20(2)10-16-25/h5-12,15-19,24H,4,13-14H2,1-3H3
InChIKey IYFRKTRWWSNJRX-UHFFFAOYSA-N
Mol Weight 511.65 g/mol
Molecular Formula C27H29NO5S2
Exact Mass 511.148715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1i1HHGUaPI6
Name 1-(p-Toluenesulfonyl)-2-[3-(p-tolylsulfonyloxy)pentyl]indole
Comments Less than 3 mono-isotopic peaks
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Formula C27H29NO5S2
InChI InChI=1S/C27H29NO5S2/c1-4-24(33-35(31,32)26-17-11-21(3)12-18-26)14-13-23-19-22-7-5-6-8-27(22)28(23)34(29,30)25-15-9-20(2)10-16-25/h5-12,15-19,24H,4,13-14H2,1-3H3
InChIKey IYFRKTRWWSNJRX-UHFFFAOYSA-N
Molecular Weight 511.651 g/mol
SMILES c1([n](c2ccccc2c1)S(=O)(=O)c1ccc(cc1)C)CCC(CC)OS(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0bt9-0009060000-ff8c7f3486ee31be34b5
Source of Spectrum F-69-1135-22
Synonyms 1-ethyl-3-{1-[(4-methylphenyl)sulfonyl]-1H-indol-2-yl}propyl 4-methylbenzenesulfonate
Wiley ID 1594687