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N,N'-bis[p-Tolylsulfonyl]-N,N'-dimethyl-1,4-butanediamine

View entire compound with spectra: 1 NMR

N,N'-bis[p-Tolylsulfonyl]-N,N'-dimethyl-1,4-butanediamine
SpectraBase Compound ID ICTNCI2Pq1G
InChI InChI=1S/C20H28N2O4S2/c1-17-7-11-19(12-8-17)27(23,24)21(3)15-5-6-16-22(4)28(25,26)20-13-9-18(2)10-14-20/h7-14H,5-6,15-16H2,1-4H3
InChIKey JPQIUUJDEPEEQT-UHFFFAOYSA-N
Mol Weight 424.57 g/mol
Molecular Formula C20H28N2O4S2
Exact Mass 424.14905 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9CQwtexh8hc
Name N,N'-bis[p-Tolylsulfonyl]-N,N'-dimethyl-1,4-butanediamine
Comments Computed using HOSE algorithm
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Exact Mass 424.149049734 u
Formula C20H28N2O4S2
InChI InChI=1S/C20H28N2O4S2/c1-17-7-11-19(12-8-17)27(23,24)21(3)15-5-6-16-22(4)28(25,26)20-13-9-18(2)10-14-20/h7-14H,5-6,15-16H2,1-4H3
InChIKey JPQIUUJDEPEEQT-UHFFFAOYSA-N
Molecular Weight 424.574 g/mol
SMILES CN(CCCCN(S(=O)(C=1C=CC(C)=CC1)=O)C)S(=O)(=O)C=1C=CC(C)=CC1