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(NO2)2-OCT-MC-6

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(NO2)2-OCT-MC-6
SpectraBase Compound ID FNlt6WUnzyi
InChI InChI=1S/C54H72N2O12/c1-3-5-7-9-11-13-21-65-53-45-33-41-17-15-19-43-35-47-39-50(56(59)60)40-48(54(47)66-22-14-12-10-8-6-4-2)36-44-20-16-18-42(34-46(53)38-49(37-45)55(57)58)52(44)68-32-30-64-28-26-62-24-23-61-25-27-63-29-31-67-51(41)43/h15-20,37-40H,3-14,21-36H2,1-2H3
InChIKey HMBYBDZHOXIYKK-UHFFFAOYSA-N
Mol Weight 941.2 g/mol
Molecular Formula C54H72N2O12
Exact Mass 940.508526 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DVy0zPyBu4r
Name (NO2)2-OCT-MC-6
Compound Number C2O0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H72N2O12
InChI InChI=1S/C54H72N2O12/c1-3-5-7-9-11-13-21-65-53-45-33-41-17-15-19-43-35-47-39-50(56(59)60)40-48(54(47)66-22-14-12-10-8-6-4-2)36-44-20-16-18-42(34-46(53)38-49(37-45)55(57)58)52(44)68-32-30-64-28-26-62-24-23-61-25-27-63-29-31-67-51(41)43/h15-20,37-40H,3-14,21-36H2,1-2H3
InChIKey HMBYBDZHOXIYKK-UHFFFAOYSA-N
Literature Reference Author C.K.JANKOWSKI,M.R.V.CALSTEREN,N.AYCHET,J.F.DOZOL,C.MOULIN,C. LAMOUROUX
Literature Reference Citation CAN.J.CHEM.,83,1098(2005)
Literature Reference DOI 10.1139/v05-126
Molecular Weight 941.172 g/mol
Solvent CDCl3
Source File Reference UWLU30430