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5,9-bis(p-Methylbenzenesulfonyl)-7-methyl-1,5,9-triazabicyclo[5.5.0]dodecane
SpectraBase Compound ID Lk7RmIyNTSH
InChI InChI=1S/C24H33N3O4S2/c1-20-6-10-22(11-7-20)32(28,29)26-16-4-14-25-15-5-17-27(19-24(25,3)18-26)33(30,31)23-12-8-21(2)9-13-23/h6-13H,4-5,14-19H2,1-3H3
InChIKey VTLPDGAMPHFUOD-UHFFFAOYSA-N
Mol Weight 491.7 g/mol
Molecular Formula C24H33N3O4S2
Exact Mass 491.191249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1XNRzHa1YxX
Name 5,9-bis(p-Methylbenzenesulfonyl)-7-methyl-1,5,9-triazabicyclo[5.5.0]dodecane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H33N3O4S2
InChI InChI=1S/C24H33N3O4S2/c1-20-6-10-22(11-7-20)32(28,29)26-16-4-14-25-15-5-17-27(19-24(25,3)18-26)33(30,31)23-12-8-21(2)9-13-23/h6-13H,4-5,14-19H2,1-3H3
InChIKey VTLPDGAMPHFUOD-UHFFFAOYSA-N
Molecular Weight 491.665 g/mol
SMILES C1N(S(c2ccc(cc2)C)(=O)=O)CCCN2CCCN(CC12C)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-001r-3906000000-1c436b11e38e94fe50ca
Source of Spectrum C-125-12209-38
Wiley ID 1701113