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(-)-BARRENAZINE-B.2TFA
SpectraBase Compound ID 5OWiSucgVvW
InChI InChI=1S/C24H38N4.2C2HF3O2/c1-3-5-7-9-11-13-19-15-21-23(17-25-19)28-22-16-20(26-18-24(22)27-21)14-12-10-8-6-4-2;2*3-2(4,5)1(6)7/h3-4,19-20,25-26H,1-2,5-18H2;2*(H,6,7)/t19-,20-;;/m1../s1
InChIKey UMKQKPIQJMTIHO-WUMQWIPTSA-N
Mol Weight 610.6 g/mol
Molecular Formula C28H40F6N4O4
Exact Mass 610.295375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A5r7RFcBTF3
Name (-)-BARRENAZINE-B.2TFA
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40F6N4O4
InChI InChI=1S/C24H38N4.2C2HF3O2/c1-3-5-7-9-11-13-19-15-21-23(17-25-19)28-22-16-20(26-18-24(22)27-21)14-12-10-8-6-4-2;2*3-2(4,5)1(6)7/h3-4,19-20,25-26H,1-2,5-18H2;2*(H,6,7)/t19-,20-;;/m1../s1
InChIKey UMKQKPIQJMTIHO-WUMQWIPTSA-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 610.640 g/mol
Sample ID 58154
Solvent CD3OD