For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-1,5-Diazonine, 2,3,4,5,6,9-hexahydro-1,5-bis[(4-methylphenyl)sulfonyl]-, (Z)-
SpectraBase Compound ID 1sWQlqyTrQH
InChI InChI=1S/C21H26N2O4S2/c1-18-6-10-20(11-7-18)28(24,25)22-14-3-4-15-23(17-5-16-22)29(26,27)21-12-8-19(2)9-13-21/h3-4,6-13H,5,14-17H2,1-2H3/b4-3-
InChIKey OQHMZJHKPKNRDC-ARJAWSKDSA-N
Mol Weight 434.57 g/mol
Molecular Formula C21H26N2O4S2
Exact Mass 434.1334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 9PoYS4u7Grr
Name 1H-1,5-Diazonine, 2,3,4,5,6,9-hexahydro-1,5-bis[(4-methylphenyl)sulfonyl]-, (Z)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.133399669 u
Formula C21H26N2O4S2
InChI InChI=1S/C21H26N2O4S2/c1-18-6-10-20(11-7-18)28(24,25)22-14-3-4-15-23(17-5-16-22)29(26,27)21-12-8-19(2)9-13-21/h3-4,6-13H,5,14-17H2,1-2H3/b4-3-
InChIKey OQHMZJHKPKNRDC-ARJAWSKDSA-N
Molecular Weight 434.569 g/mol
SMILES C1N(S(C=2C=CC(=CC2)C)(=O)=O)CCCN(C\C=C/1)S(C=1C=CC(=CC1)C)(=O)=O