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CIS-N-(1-BENZYL-6-TOLUENESULFONYLAMINOAZEPAN-2-YL-METHYL)-TOLUENESULFONAMIDE
SpectraBase Compound ID 8lW8q2szgzQ
InChI InChI=1S/C28H35N3O4S2/c1-22-11-15-27(16-12-22)36(32,33)29-19-26-10-6-9-25(21-31(26)20-24-7-4-3-5-8-24)30-37(34,35)28-17-13-23(2)14-18-28/h3-5,7-8,11-18,25-26,29-30H,6,9-10,19-21H2,1-2H3/t25-,26-/m1/s1
InChIKey VVWLQHBLWRBTIV-CLJLJLNGSA-N
Mol Weight 541.7 g/mol
Molecular Formula C28H35N3O4S2
Exact Mass 541.206899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5efK3iq0vE
Name CIS-N-(1-BENZYL-6-TOLUENESULFONYLAMINOAZEPAN-2-YL-METHYL)-TOLUENESULFONAMIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35N3O4S2
InChI InChI=1S/C28H35N3O4S2/c1-22-11-15-27(16-12-22)36(32,33)29-19-26-10-6-9-25(21-31(26)20-24-7-4-3-5-8-24)30-37(34,35)28-17-13-23(2)14-18-28/h3-5,7-8,11-18,25-26,29-30H,6,9-10,19-21H2,1-2H3/t25-,26-/m1/s1
InChIKey VVWLQHBLWRBTIV-CLJLJLNGSA-N
Literature Reference Author H.S.CHONG,K.GARMESTANI,L.H.BRYANT,M.W.BRECHBIEL
Literature Reference Citation J.ORG.CHEM.,66,7745(2001)
Literature Reference DOI 10.1021/jo0106344
Molecular Weight 541.724 g/mol
Solvent CDCl3
Source File Reference UWVN25865