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(E,E)-1,6-Bis[(2,4,6-triisopropylphenyl)sulfonyl]-1,2,5,6,7,10-hexahydro-1,6-diazecine

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

(E,E)-1,6-Bis[(2,4,6-triisopropylphenyl)sulfonyl]-1,2,5,6,7,10-hexahydro-1,6-diazecine
SpectraBase Compound ID 7aIECMBFa7W
InChI InChI=1S/C38H58N2O4S2/c1-25(2)31-21-33(27(5)6)37(34(22-31)28(7)8)45(41,42)39-17-13-15-19-40(20-16-14-18-39)46(43,44)38-35(29(9)10)23-32(26(3)4)24-36(38)30(11)12/h13-16,21-30H,17-20H2,1-12H3/b15-13-,16-14-
InChIKey DELHQFPVBYDQGF-VMNXYWKNSA-N
Mol Weight 671.0 g/mol
Molecular Formula C38H58N2O4S2
Exact Mass 670.383801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ndrFPQHH0g
Name (E,E)-1,6-bis[(2,4,6-Triisopropylphenyl)sulfonyl]-1,2,5,6,7,10-hexahydro-1,6-diazecine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 670.383800700 u
Formula C38H58N2O4S2
InChI InChI=1S/C38H58N2O4S2/c1-25(2)31-21-33(27(5)6)37(34(22-31)28(7)8)45(41,42)39-17-13-15-19-40(20-16-14-18-39)46(43,44)38-35(29(9)10)23-32(26(3)4)24-36(38)30(11)12/h13-16,21-30H,17-20H2,1-12H3/b15-13-,16-14-
InChIKey DELHQFPVBYDQGF-VMNXYWKNSA-N
Molecular Weight 671.012 g/mol
SMILES C=1(S(N2C\C=C/CN(S(C=3C(=CC(=CC3C(C)C)C(C)C)C(C)C)(=O)=O)C\C=C/C2)(=O)=O)C(=CC(=CC1C(C)C)C(C)C)C(C)C