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(S,S)-1,9-BIS-[2-(2,2,2-TRIFLUORO-1-METHOXYETHYL)-PHENYL]-5-PHENYL-10-H-DIPYRRIN
SpectraBase Compound ID KAY83k2vwM
InChI InChI=1S/C33H26F6N2O2/c1-42-30(32(34,35)36)23-14-8-6-12-21(23)25-16-18-27(40-25)29(20-10-4-3-5-11-20)28-19-17-26(41-28)22-13-7-9-15-24(22)31(43-2)33(37,38)39/h3-19,30-31,40H,1-2H3/b29-28+/t30-,31-/m0/s1
InChIKey IRXMCGDFCVPKQP-BZLXOQQRSA-N
Mol Weight 596.6 g/mol
Molecular Formula C33H26F6N2O2
Exact Mass 596.189847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9iYCiOvr86c
Name (S,S)-1,9-BIS-[2-(2,2,2-TRIFLUORO-1-METHOXYETHYL)-PHENYL]-5-PHENYL-10-H-DIPYRRIN
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H26F6N2O2
InChI InChI=1S/C33H26F6N2O2/c1-42-30(32(34,35)36)23-14-8-6-12-21(23)25-16-18-27(40-25)29(20-10-4-3-5-11-20)28-19-17-26(41-28)22-13-7-9-15-24(22)31(43-2)33(37,38)39/h3-19,30-31,40H,1-2H3/b29-28+/t30-,31-/m0/s1
InChIKey IRXMCGDFCVPKQP-BZLXOQQRSA-N
Literature Reference Author A.GOSSAUER,F.NYDEGGER,T.KISS,R.SLEZIAK,H.STOECKLI-EVANS
Literature Reference Citation J.AM.CHEM.SOC.,126,1772(2004)
Literature Reference DOI 10.1021/ja030542r
Molecular Weight 596.572 g/mol
Solvent CDCl3
Source File Reference UWMZ24024