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3-(p-tolylsulfonyl)-1,3,5-triazabicyclo[3.2.1]octane

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

3-(p-tolylsulfonyl)-1,3,5-triazabicyclo[3.2.1]octane
SpectraBase Compound ID JqEOc5E9q7T
InChI InChI=1S/C12H17N3O2S/c1-11-2-4-12(5-3-11)18(16,17)15-9-13-6-7-14(8-13)10-15/h2-5H,6-10H2,1H3
InChIKey BFESJBSHENEDQD-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C12H17N3O2S
Exact Mass 267.104148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0n722ePJHU
Name 1,3,5-Triazabicyclo[3.2.1]octane, 3-(toluene-4-sulfonyl)-
Alternate Name(s) 3-(4-Methylphenyl)sulfonyl-1,3,5-triazabicyclo[3.2.1]octane 3-(p-tolylsulfonyl)-1,3,5-triazabicyclo[3.2.1]octane 3-Tosyl-1,3,5-triazabicyclo[3.2.1]octane
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Formula C12H17N3O2S
InChI InChI=1S/C12H17N3O2S/c1-11-2-4-12(5-3-11)18(16,17)15-9-13-6-7-14(8-13)10-15/h2-5H,6-10H2,1H3
InChIKey BFESJBSHENEDQD-UHFFFAOYSA-N
Molecular Weight 267.347 g/mol
SMILES Cc1ccc(S(=O)(=O)N2CN3CCN(C2)C3)cc1
SPLASH splash10-0006-9000000000-7c35fa98b6cd07c7b189
Wiley ID 1447209