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10;[9,10,11,12,13,14,15,16,22,23,24,25,26,27,28,29,37A,38,39,40,41,41A-DOCOSAHYDRO-15,23-DIOXO-16H,22H-3,7:31,35-DIMETHENO-17,21-NITRILO-8,30,1,16,22,37-BENZOD
SpectraBase Compound ID GNm8vjKT1mc
InChI InChI=1S/C39H49N5O6.2O.U/c45-36-22-5-1-3-9-24-49-32-18-11-14-28(38(32)47)26-40-30-16-7-8-17-31(30)41-27-29-15-12-19-33(39(29)48)50-25-10-4-2-6-23-37(46)44-35-21-13-20-34(42-35)43-36;;;/h11-15,18-21,26-27,30-31,47-48H,1-10,16-17,22-25H2,(H2,42,43,44,45,46);;;/q;;;+2/p-2/b40-26+,41-27+;;;
InChIKey NCLCKBTZNOHTDM-MYEAJWJCSA-L
Mol Weight 951.9 g/mol
Molecular Formula C39H47N5O8U
Exact Mass 951.393253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9kz611Y5vUD
Name 10;[9,10,11,12,13,14,15,16,22,23,24,25,26,27,28,29,37A,38,39,40,41,41A-DOCOSAHYDRO-15,23-DIOXO-16H,22H-3,7:31,35-DIMETHENO-17,21-NITRILO-8,30,1,16,22,37-BENZOD
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H47N5O8U
InChI InChI=1S/C39H49N5O6.2O.U/c45-36-22-5-1-3-9-24-49-32-18-11-14-28(38(32)47)26-40-30-16-7-8-17-31(30)41-27-29-15-12-19-33(39(29)48)50-25-10-4-2-6-23-37(46)44-35-21-13-20-34(42-35)43-36;;;/h11-15,18-21,26-27,30-31,47-48H,1-10,16-17,22-25H2,(H2,42,43,44,45,46);;;/q;;;+2/p-2/b40-26+,41-27+;;;
InChIKey NCLCKBTZNOHTDM-MYEAJWJCSA-L
Literature Reference Author A.R.VANDOORN,D.J.RUSHTON,W.F.VANSTRAATEN-NIJENHUIS,W.VERBOOM ,D.N.REINHOUDT
Literature Reference Citation REC.TR.CH.P.-B.,111,421(1992)
Literature Reference DOI 10.1002/recl.19921111002
Molecular Weight 951.860 g/mol
Solvent CDCl3:DMSO-D6=4:1
Source File Reference UWRK1027