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(3R,8R)-1,2,3,4,6,7,8,9-OCTAHYDRO-3,8-DODECANODIPYRIDO-(3,4-B:3',4'-E)-PYRAZINE-BIS-(TRIFLUOROACETATE)
SpectraBase Compound ID DKpO4GAripq
InChI InChI=1S/C22H36N4.2C2HF3O2/c1-2-4-6-8-10-12-18-14-20-22(16-24-18)25-19-13-17(11-9-7-5-3-1)23-15-21(19)26-20;2*3-2(4,5)1(6)7/h17-18,23-24H,1-16H2;2*(H,6,7)/t17-,18-;;/m1../s1
InChIKey YKBWPDOMFRXJHA-RKDOVGOJSA-N
Mol Weight 584.604 g/mol
Molecular Formula C26H38F6N4O4
Exact Mass 584.279725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9usBZoiAc1x
Name (3R,8R)-1,2,3,4,6,7,8,9-OCTAHYDRO-3,8-DODECANODIPYRIDO-(3,4-B:3',4'-E)-PYRAZINE-BIS-(TRIFLUOROACETATE)
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H38F6N4O4
InChI InChI=1S/C22H36N4.2C2HF3O2/c1-2-4-6-8-10-12-18-14-20-22(16-24-18)25-19-13-17(11-9-7-5-3-1)23-15-21(19)26-20;2*3-2(4,5)1(6)7/h17-18,23-24H,1-16H2;2*(H,6,7)/t17-,18-;;/m1../s1
InChIKey YKBWPDOMFRXJHA-RKDOVGOJSA-N
Literature Reference Author T.FOCKEN,A.B.CHARETTE
Literature Reference Citation ORG.LETTERS,8,2985(2006)
Literature Reference DOI 10.1021/ol0609006
Molecular Weight 584.603 g/mol
Sample ID 58157
Solvent CD3OD