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COMP-G;1-(4-(2-(2-BROMOBENZENESULPHONAMINO)-ETHYL)-PHENYLSULPHONYL)-3-(TRANS-4-METHYLCYCLOHEXYL)-UREA
SpectraBase Compound ID EYAkjMsIyIp
InChI InChI=1S/C22H28BrN3O5S2/c1-16-6-10-18(11-7-16)25-22(27)26-32(28,29)19-12-8-17(9-13-19)14-15-24-33(30,31)21-5-3-2-4-20(21)23/h2-5,8-9,12-13,16,18,24H,6-7,10-11,14-15H2,1H3,(H2,25,26,27)
InChIKey WAZTYFNWPPYUTI-UHFFFAOYSA-N
Mol Weight 558.51 g/mol
Molecular Formula C22H28BrN3O5S2
Exact Mass 557.065376 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69MQ3RQWuSY
Name COMP-G;1-(4-(2-(2-BROMOBENZENESULPHONAMINO)-ETHYL)-PHENYLSULPHONYL)-3-(TRANS-4-METHYLCYCLOHEXYL)-UREA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H28BrN3O5S2
InChI InChI=1S/C22H28BrN3O5S2/c1-16-6-10-18(11-7-16)25-22(27)26-32(28,29)19-12-8-17(9-13-19)14-15-24-33(30,31)21-5-3-2-4-20(21)23/h2-5,8-9,12-13,16,18,24H,6-7,10-11,14-15H2,1H3,(H2,25,26,27)
InChIKey WAZTYFNWPPYUTI-UHFFFAOYSA-N
Literature Reference Author W.LIU,A.ZHOU,F.FENG,H.ZHANG,J.ZHOU,W.HUANG
Literature Reference Citation J.PHARM.BIOM.ANAL.,56,627(2011)
Literature Reference DOI 10.1016/j.jpba.2011.06.017
Molecular Weight 558.505 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44148