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AXFJNJPWULNQIN-GPAWKIAZSA-N

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AXFJNJPWULNQIN-GPAWKIAZSA-N
SpectraBase Compound ID JYIlpbDmLpn
InChI InChI=1S/C42H46N4O2/c1-3-5-7-13-31-47-35-23-17-33(18-24-35)21-27-39-41(37-15-9-11-29-43-37)46-40(42(45-39)38-16-10-12-30-44-38)28-22-34-19-25-36(26-20-34)48-32-14-8-6-4-2/h9-12,15-30H,3-8,13-14,31-32H2,1-2H3/b27-21+,28-22+
InChIKey AXFJNJPWULNQIN-GPAWKIAZSA-N
Mol Weight 638.9 g/mol
Molecular Formula C42H46N4O2
Exact Mass 638.362077 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBRrI1vTLCi
Name AXFJNJPWULNQIN-GPAWKIAZSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H46N4O2
InChI InChI=1S/C42H46N4O2/c1-3-5-7-13-31-47-35-23-17-33(18-24-35)21-27-39-41(37-15-9-11-29-43-37)46-40(42(45-39)38-16-10-12-30-44-38)28-22-34-19-25-36(26-20-34)48-32-14-8-6-4-2/h9-12,15-30H,3-8,13-14,31-32H2,1-2H3/b27-21+,28-22+
InChIKey AXFJNJPWULNQIN-GPAWKIAZSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 638.853 g/mol
Source File Reference MHKO27333