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RLZXHRVLAPUCFD-QGIWOGKZSA-N

View entire compound with spectra: 1 NMR

RLZXHRVLAPUCFD-QGIWOGKZSA-N
SpectraBase Compound ID 7c2cuX5L2gt
InChI InChI=1S/C62H78N4O8/c1-58(2)47-44-37-24-23-36(63-37)35-62(53(61(62,7)8)57(70)74-34-22-18-14-10-13-17-19-31-71-54(67)50(47)58)43-30-29-42(66-43)46-41-28-27-40(65-41)45(39-26-25-38(44)64-39)48-51(59(48,3)4)55(68)72-32-20-15-11-9-12-16-21-33-73-56(69)52-49(46)60(52,5)6/h23-30,35,47-53,63,65H,9-22,31-34H2,1-8H3/b36-35-,44-37+,45-39+,46-42+
InChIKey RLZXHRVLAPUCFD-QGIWOGKZSA-N
Mol Weight 1007.3 g/mol
Molecular Formula C62H78N4O8
Exact Mass 1006.581965 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KXxzetuC11f
Name RLZXHRVLAPUCFD-QGIWOGKZSA-N
Compound Number 12B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C62H78N4O8
InChI InChI=1S/C62H78N4O8/c1-58(2)47-44-37-24-23-36(63-37)35-62(53(61(62,7)8)57(70)74-34-22-18-14-10-13-17-19-31-71-54(67)50(47)58)43-30-29-42(66-43)46-41-28-27-40(65-41)45(39-26-25-38(44)64-39)48-51(59(48,3)4)55(68)72-32-20-15-11-9-12-16-21-33-73-56(69)52-49(46)60(52,5)6/h23-30,35,47-53,63,65H,9-22,31-34H2,1-8H3/b36-35-,44-37+,45-39+,46-42+
InChIKey RLZXHRVLAPUCFD-QGIWOGKZSA-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 1007.323 g/mol
Sample ID 41511
Solvent CDCl3