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OKVONKJWSAKBNQ-UWUBEFKTSA-N

View entire compound with spectra: 1 NMR

OKVONKJWSAKBNQ-UWUBEFKTSA-N
SpectraBase Compound ID HgRTdUSQmLj
InChI InChI=1S/C60H74N4O8/c1-56(2)45-42-35-22-21-34(61-35)33-60(51(59(60,7)8)55(68)72-32-20-16-12-11-15-19-29-69-52(65)48(45)56)41-28-27-40(64-41)44-39-26-25-38(63-39)43(37-24-23-36(42)62-37)46-49(57(46,3)4)53(66)70-30-17-13-9-10-14-18-31-71-54(67)50-47(44)58(50,5)6/h21-28,33,45-51,61,63H,9-20,29-32H2,1-8H3/b34-33-,42-35+,43-37+,44-40+
InChIKey OKVONKJWSAKBNQ-UWUBEFKTSA-N
Mol Weight 979.3 g/mol
Molecular Formula C60H74N4O8
Exact Mass 978.550665 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1eMPZohPYI8
Name OKVONKJWSAKBNQ-UWUBEFKTSA-N
Compound Number 12A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H74N4O8
InChI InChI=1S/C60H74N4O8/c1-56(2)45-42-35-22-21-34(61-35)33-60(51(59(60,7)8)55(68)72-32-20-16-12-11-15-19-29-69-52(65)48(45)56)41-28-27-40(64-41)44-39-26-25-38(63-39)43(37-24-23-36(42)62-37)46-49(57(46,3)4)53(66)70-30-17-13-9-10-14-18-31-71-54(67)50-47(44)58(50,5)6/h21-28,33,45-51,61,63H,9-20,29-32H2,1-8H3/b34-33-,42-35+,43-37+,44-40+
InChIKey OKVONKJWSAKBNQ-UWUBEFKTSA-N
Literature Reference Author R.E.HADDAD,S.GAZEAU,J.PECAUT,J.C.MARCHON,C.J.MEDFORTH,J.A.SH ELNUTT
Literature Reference Citation J.AM.CHEM.SOC.,125,1253(2003)
Literature Reference DOI 10.1021/ja0280933
Molecular Weight 979.270 g/mol
Sample ID 41510
Solvent CDCl3