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8,16-Bis(7-ethyl-2,8-di-aco-1,3-dime-4-oxo-non-59-dioxa-cyclohexadeca-3,5,1 1,13-tetraene-2,10-dione

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8,16-Bis(7-ethyl-2,8-di-aco-1,3-dime-4-oxo-non-59-dioxa-cyclohexadeca-3,5,1 1,13-tetraene-2,10-dione
SpectraBase Compound ID LENmV8AvU5n
InChI InChI=1S/C50H72O14/c1-15-41(35(9)59-37(11)51)25-27-43(55)31(5)49(61-39(13)53)33(7)47-29(3)21-17-19-24-46(58)64-48(30(4)22-18-20-23-45(57)63-47)34(8)50(62-40(14)54)32(6)44(56)28-26-42(16-2)36(10)60-38(12)52/h17-36,41-42,47-50H,15-16H2,1-14H3/b21-17+,22-18+,23-20+,24-19+,27-25-,28-26+
InChIKey GVKIZMPEXAFUMI-ALMRYSNISA-N
Mol Weight 897.1 g/mol
Molecular Formula C50H72O14
Exact Mass 896.492207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7xlTPu1rk0u
Name 8,16-Bis(7-ethyl-2,8-di-aco-1,3-dime-4-oxo-non-59-dioxa-cyclohexadeca-3,5,1 1,13-tetraene-2,10-dione
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C50H72O14
InChI InChI=1S/C50H72O14/c1-15-41(35(9)59-37(11)51)25-27-43(55)31(5)49(61-39(13)53)33(7)47-29(3)21-17-19-24-46(58)64-48(30(4)22-18-20-23-45(57)63-47)34(8)50(62-40(14)54)32(6)44(56)28-26-42(16-2)36(10)60-38(12)52/h17-36,41-42,47-50H,15-16H2,1-14H3/b21-17+,22-18+,23-20+,24-19+,27-25-,28-26+
InChIKey GVKIZMPEXAFUMI-ALMRYSNISA-N
Instrument Name Bruker AM-300
Literature Reference P. Hamman, G. Kretzschmar, Magn. Res. Chem. 29, 667 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Pyridine-D5