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TECTON-4
SpectraBase Compound ID Asf4BPzsEWE
InChI InChI=1S/C41H40N20O4/c42-33-50-29(51-34(43)58-33)21-5-1-9-25(13-21)62-17-41(18-63-26-10-2-6-22(14-26)30-52-35(44)59-36(45)53-30,19-64-27-11-3-7-23(15-27)31-54-37(46)60-38(47)55-31)20-65-28-12-4-8-24(16-28)32-56-39(48)61-40(49)57-32/h1-16H,17-20H2,(H4,42,43,50,51,58)(H4,44,45,52,53,59)(H4,46,47,54,55,60)(H4,48,49,56,57,61)
InChIKey YNAUIHVMVQACTM-UHFFFAOYSA-N
Mol Weight 876.9 g/mol
Molecular Formula C41H40N20O4
Exact Mass 876.35414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3sjpaQCjCUC
Name TECTON-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H40N20O4
InChI InChI=1S/C41H40N20O4/c42-33-50-29(51-34(43)58-33)21-5-1-9-25(13-21)62-17-41(18-63-26-10-2-6-22(14-26)30-52-35(44)59-36(45)53-30,19-64-27-11-3-7-23(15-27)31-54-37(46)60-38(47)55-31)20-65-28-12-4-8-24(16-28)32-56-39(48)61-40(49)57-32/h1-16H,17-20H2,(H4,42,43,50,51,58)(H4,44,45,52,53,59)(H4,46,47,54,55,60)(H4,48,49,56,57,61)
InChIKey YNAUIHVMVQACTM-UHFFFAOYSA-N
Literature Reference Author D.LALIBERTE,T.MARIS,J.D.WUEST
Literature Reference Citation J.ORG.CHEM.,69,1776(2004)
Literature Reference DOI 10.1021/jo035311h
Molecular Weight 876.900 g/mol
Solvent DMSO-D6
Source File Reference UWVN21928