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#13;RAC-4,5-DIBROMO-1H-PYRROLE-2-CARBOXYLIC-ACID-(2-AMINO-6,8-DIOXO-7-PHENYL-3,4,5,5A,6,7,8,8A-OCTAHYDRO-IMIDAZO-[4,5-E]-ISOINDOL-5-YLMETHYL)-AMIDE

View entire compound with spectra: 2 NMR

#13;RAC-4,5-DIBROMO-1H-PYRROLE-2-CARBOXYLIC-ACID-(2-AMINO-6,8-DIOXO-7-PHENYL-3,4,5,5A,6,7,8,8A-OCTAHYDRO-IMIDAZO-[4,5-E]-ISOINDOL-5-YLMETHYL)-AMIDE
SpectraBase Compound ID 5Y2NiAp9yIZ
InChI InChI=1S/C21H18Br2N6O3/c22-11-7-13(26-17(11)23)18(30)25-8-9-6-12-16(28-21(24)27-12)15-14(9)19(31)29(20(15)32)10-4-2-1-3-5-10/h1-5,7,9,14-15,26H,6,8H2,(H,25,30)(H3,24,27,28)/t9-,14+,15+/m1/s1
InChIKey KSXCVQJGFPFPOH-NKZPBKNFSA-N
Mol Weight 562.22 g/mol
Molecular Formula C21H18Br2N6O3
Exact Mass 559.980714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3LfZRZMxzbi
Name #13;RAC-4,5-DIBROMO-1H-PYRROLE-2-CARBOXYLIC-ACID-(2-AMINO-6,8-DIOXO-7-PHENYL-3,4,5,5A,6,7,8,8A-OCTAHYDRO-IMIDAZO-[4,5-E]-ISOINDOL-5-YLMETHYL)-AMIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H18Br2N6O3
InChI InChI=1S/C21H18Br2N6O3/c22-11-7-13(26-17(11)23)18(30)25-8-9-6-12-16(28-21(24)27-12)15-14(9)19(31)29(20(15)32)10-4-2-1-3-5-10/h1-5,7,9,14-15,26H,6,8H2,(H,25,30)(H3,24,27,28)/t9-,14+,15+/m1/s1
InChIKey KSXCVQJGFPFPOH-NKZPBKNFSA-N
Literature Reference Author C.POEVERLEIN,G.BRECKLE,T.LINDEL
Literature Reference Citation ORG.LETTERS,8,819(2006)
Literature Reference DOI 10.1021/ol0526219
Molecular Weight 562.220 g/mol
Sample ID 39936
Solvent CD3OD