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CBRRUVMIRBRHTE-RZARKYNXSA-N
SpectraBase Compound ID Bm22eae8iDQ
InChI InChI=1S/C27H22N4O6/c32-13-17-7-6-16(37-17)11-28-30-12-24(33)31-21(27(30)34)10-19-18-3-1-2-4-20(18)29-25(19)26(31)15-5-8-22-23(9-15)36-14-35-22/h1-9,11,21,26,29,32H,10,12-14H2/b28-11+/t21-,26-/m1/s1
InChIKey CBRRUVMIRBRHTE-RZARKYNXSA-N
Mol Weight 498.5 g/mol
Molecular Formula C27H22N4O6
Exact Mass 498.153934 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7qO8f18it9q
Name CBRRUVMIRBRHTE-RZARKYNXSA-N
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H22N4O6
InChI InChI=1S/C27H22N4O6/c32-13-17-7-6-16(37-17)11-28-30-12-24(33)31-21(27(30)34)10-19-18-3-1-2-4-20(18)29-25(19)26(31)15-5-8-22-23(9-15)36-14-35-22/h1-9,11,21,26,29,32H,10,12-14H2/b28-11+/t21-,26-/m1/s1
InChIKey CBRRUVMIRBRHTE-RZARKYNXSA-N
Literature Reference Author A.HAEBERLI,P.GIRARD,M.Y.LOW,X.GE
Literature Reference Citation J.PHARM.BIOM.ANAL.,53,24(2010)
Literature Reference DOI 10.1016/j.jpba.2010.03.008
Molecular Weight 498.495 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44183