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UNIMER-I

View entire compound with spectra: 1 NMR

UNIMER-I
SpectraBase Compound ID 87lkPYn0o7Q
InChI InChI=1S/C60H87N3O6/c1-55(2)31-22-32-56(3,4)61(55)67-52(49-25-16-13-17-26-49)43-64-40-46-37-47(41-65-44-53(50-27-18-14-19-28-50)68-62-57(5,6)33-23-34-58(62,7)8)39-48(38-46)42-66-45-54(51-29-20-15-21-30-51)69-63-59(9,10)35-24-36-60(63,11)12/h13-21,25-30,37-39,52-54H,22-24,31-36,40-45H2,1-12H3
InChIKey KRDVPIGVAXROCX-UHFFFAOYSA-N
Mol Weight 946.4 g/mol
Molecular Formula C60H87N3O6
Exact Mass 945.659488 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dyGr5WWM7x
Name UNIMER-I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H87N3O6
InChI InChI=1S/C60H87N3O6/c1-55(2)31-22-32-56(3,4)61(55)67-52(49-25-16-13-17-26-49)43-64-40-46-37-47(41-65-44-53(50-27-18-14-19-28-50)68-62-57(5,6)33-23-34-58(62,7)8)39-48(38-46)42-66-45-54(51-29-20-15-21-30-51)69-63-59(9,10)35-24-36-60(63,11)12/h13-21,25-30,37-39,52-54H,22-24,31-36,40-45H2,1-12H3
InChIKey KRDVPIGVAXROCX-UHFFFAOYSA-N
Literature Reference Author M.A.A.GHANI,D.ABDALLAH,P.M.KAZMAIER,B.KOESHKERIAN,E.BUNCEL
Literature Reference Citation CAN.J.CHEM.,82,1403(2004)
Literature Reference DOI 10.1139/v04-106
Molecular Weight 946.367 g/mol
Solvent CDCl3
Source File Reference UWMS28779