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XBKUFDFYPGRAFN-ATMXGSKJSA-N

View entire compound with spectra: 1 NMR

XBKUFDFYPGRAFN-ATMXGSKJSA-N
SpectraBase Compound ID 1u5hozI4Pgt
InChI InChI=1S/C76H106N4O8/c1-72(2)61-58-51-38-37-50(77-51)49-76(67(75(76,7)8)71(84)88-48-36-32-28-24-20-16-12-11-15-19-21-25-29-33-45-85-68(81)64(61)72)57-44-43-56(80-57)60-55-42-41-54(79-55)59(53-40-39-52(58)78-53)62-65(73(62,3)4)69(82)86-46-34-30-26-22-17-13-9-10-14-18-23-27-31-35-47-87-70(83)66-63(60)74(66,5)6/h37-44,49,61-67,77,79H,9-36,45-48H2,1-8H3/b50-49-,58-51+,59-53+,60-56+
InChIKey XBKUFDFYPGRAFN-ATMXGSKJSA-N
Mol Weight 1203.7 g/mol
Molecular Formula C76H106N4O8
Exact Mass 1202.801066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3InsWBxi8O7
Name XBKUFDFYPGRAFN-ATMXGSKJSA-N
Compound Number 12G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H106N4O8
InChI InChI=1S/C76H106N4O8/c1-72(2)61-58-51-38-37-50(77-51)49-76(67(75(76,7)8)71(84)88-48-36-32-28-24-20-16-12-11-15-19-21-25-29-33-45-85-68(81)64(61)72)57-44-43-56(80-57)60-55-42-41-54(79-55)59(53-40-39-52(58)78-53)62-65(73(62,3)4)69(82)86-46-34-30-26-22-17-13-9-10-14-18-23-27-31-35-47-87-70(83)66-63(60)74(66,5)6/h37-44,49,61-67,77,79H,9-36,45-48H2,1-8H3/b50-49-,58-51+,59-53+,60-56+
InChIKey XBKUFDFYPGRAFN-ATMXGSKJSA-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 1203.700 g/mol
Sample ID 41516
Solvent CDCl3