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(NO2)-OCT-MC-6

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(NO2)-OCT-MC-6
SpectraBase Compound ID 6xsN2vBjQjP
InChI InChI=1S/C54H73NO10/c1-3-5-7-9-11-13-24-62-51-42-18-15-19-43(51)37-45-21-17-23-47-39-49-41-50(55(56)57)40-48(54(49)63-25-14-12-10-8-6-4-2)38-46-22-16-20-44(36-42)52(46)64-34-32-60-30-28-58-26-27-59-29-31-61-33-35-65-53(45)47/h15-23,40-41H,3-14,24-39H2,1-2H3
InChIKey SKBYPFUMIHACRZ-UHFFFAOYSA-N
Mol Weight 896.2 g/mol
Molecular Formula C54H73NO10
Exact Mass 895.523448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID iLjxKkmXOy
Name (NO2)-OCT-MC-6
Compound Number C1O0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H73NO10
InChI InChI=1S/C54H73NO10/c1-3-5-7-9-11-13-24-62-51-42-18-15-19-43(51)37-45-21-17-23-47-39-49-41-50(55(56)57)40-48(54(49)63-25-14-12-10-8-6-4-2)38-46-22-16-20-44(36-42)52(46)64-34-32-60-30-28-58-26-27-59-29-31-61-33-35-65-53(45)47/h15-23,40-41H,3-14,24-39H2,1-2H3
InChIKey SKBYPFUMIHACRZ-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 896.174 g/mol
Solvent CDCl3
Source File Reference UWLU30429