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5,9-bis(p-Methylbenzenesulfonyl)-7-(hydroxymethyl)-1,5,9-triazabicyclo[5.5.0]dodecane
SpectraBase Compound ID IsvAwuxvKbG
InChI InChI=1S/C24H33N3O5S2/c1-20-5-9-22(10-6-20)33(29,30)26-15-3-13-25-14-4-16-27(18-24(25,17-26)19-28)34(31,32)23-11-7-21(2)8-12-23/h5-12,28H,3-4,13-19H2,1-2H3
InChIKey SXSGFDDFWSYVBL-UHFFFAOYSA-N
Mol Weight 507.7 g/mol
Molecular Formula C24H33N3O5S2
Exact Mass 507.186164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BpGIGlImBG9
Name 5,9-bis(p-Methylbenzenesulfonyl)-7-(hydroxymethyl)-1,5,9-triazabicyclo[5.5.0]dodecane
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Formula C24H33N3O5S2
InChI InChI=1S/C24H33N3O5S2/c1-20-5-9-22(10-6-20)33(29,30)26-15-3-13-25-14-4-16-27(18-24(25,17-26)19-28)34(31,32)23-11-7-21(2)8-12-23/h5-12,28H,3-4,13-19H2,1-2H3
InChIKey SXSGFDDFWSYVBL-UHFFFAOYSA-N
Molecular Weight 507.664 g/mol
SMILES OCC12CN(S(c3ccc(cc3)C)(=O)=O)CCCN1CCCN(S(c1ccc(cc1)C)(=O)=O)C2
SPLASH splash10-006x-9307100000-eafb1441d72868991fe6
Source of Spectrum C-125-12209-37
Synonyms [5,9-bis(p-tolylsulfonyl)-1,5,9-triazabicyclo[5.5.0]dodecan-7-yl]methanol [5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazabicyclo[5.5.0]dodecan-7-yl]methanol
Wiley ID 1701112