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KLUDDOIKBHAURX-UHFFFAOYSA-N

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KLUDDOIKBHAURX-UHFFFAOYSA-N
SpectraBase Compound ID Ia2okjKgFc6
InChI InChI=1S/C40H52N8O12/c1-45-15-19-57-37(49)29-25-32(48(43-29)42-14-12-28-8-10-34(54-4)36(24-28)56-6)40(52)60-22-18-46(2)16-20-58-38(50)30-26-31(39(51)59-21-17-45)47(44-30)41-13-11-27-7-9-33(53-3)35(23-27)55-5/h7-10,23-26,41-42H,11-22H2,1-6H3
InChIKey KLUDDOIKBHAURX-UHFFFAOYSA-N
Mol Weight 836.9 g/mol
Molecular Formula C40H52N8O12
Exact Mass 836.370469 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWu3flkbbyh
Name KLUDDOIKBHAURX-UHFFFAOYSA-N
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52N8O12
InChI InChI=1S/C40H52N8O12/c1-45-15-19-57-37(49)29-25-32(48(43-29)42-14-12-28-8-10-34(54-4)36(24-28)56-6)40(52)60-22-18-46(2)16-20-58-38(50)30-26-31(39(51)59-21-17-45)47(44-30)41-13-11-27-7-9-33(53-3)35(23-27)55-5/h7-10,23-26,41-42H,11-22H2,1-6H3
InChIKey KLUDDOIKBHAURX-UHFFFAOYSA-N
Literature Reference Author A.M.SANZ,P.NAVARRO,F.GOMEZ-CONTRERAS,M.PARDO,G.PEPE,A.SAMAT
Literature Reference Citation CAN.J.CHEM.,76,1174(1998)
Literature Reference DOI 10.1139/cjc-76-8-1174
Molecular Weight 836.899 g/mol
Solvent CDCl3
Source File Reference UWKP567