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trans-2-Benzenesulfonyl-3-phenyl-2,3,3a,4,5,6-hexahydro-benzo(6,7)cyclohepta(1,2-C)pyrazole
SpectraBase Compound ID TleupaPUUk
InChI InChI=1S/C24H22N2O2S/c27-29(28,20-14-5-2-6-15-20)26-24(19-11-3-1-4-12-19)22-17-9-13-18-10-7-8-16-21(18)23(22)25-26/h1-8,10-12,14-16,22,24H,9,13,17H2
InChIKey QDRBGPVPJMBSFD-UHFFFAOYSA-N
Mol Weight 402.51 g/mol
Molecular Formula C24H22N2O2S
Exact Mass 402.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqgXGkPQ4VH
Name trans-2-Benzenesulfonyl-3-phenyl-2,3,3a,4,5,6-hexahydro-benzo(6,7)cyclohepta(1,2-C)pyrazole
Comments 67.2 MHZ SPECTRUM
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C24H22N2O2S
InChI InChI=1S/C24H22N2O2S/c27-29(28,20-14-5-2-6-15-20)26-24(19-11-3-1-4-12-19)22-17-9-13-18-10-7-8-16-21(18)23(22)25-26/h1-8,10-12,14-16,22,24H,9,13,17H2
InChIKey QDRBGPVPJMBSFD-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference A. Szoelloesy, G. Toth, T. Lorand, J. Chem. Soc. Perkin II 489 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3