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BNLSCNSLTQUTPK-FKOHNHKWSA-N

View entire compound with spectra: 1 NMR

BNLSCNSLTQUTPK-FKOHNHKWSA-N
SpectraBase Compound ID 17ybWoTH1xe
InChI InChI=1S/C72H98N4O8/c1-68(2)57-54-47-34-33-46(73-47)45-72(63(71(72,7)8)67(80)84-44-32-28-24-20-16-12-11-15-19-21-25-29-41-81-64(77)60(57)68)53-40-39-52(76-53)56-51-38-37-50(75-51)55(49-36-35-48(54)74-49)58-61(69(58,3)4)65(78)82-42-30-26-22-17-13-9-10-14-18-23-27-31-43-83-66(79)62-59(56)70(62,5)6/h33-40,45,57-63,73,75H,9-32,41-44H2,1-8H3/b46-45-,54-47+,55-49+,56-52+
InChIKey BNLSCNSLTQUTPK-FKOHNHKWSA-N
Mol Weight 1147.6 g/mol
Molecular Formula C72H98N4O8
Exact Mass 1146.738466 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5eJ0zqG3NUv
Name BNLSCNSLTQUTPK-FKOHNHKWSA-N
Compound Number 12F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C72H98N4O8
InChI InChI=1S/C72H98N4O8/c1-68(2)57-54-47-34-33-46(73-47)45-72(63(71(72,7)8)67(80)84-44-32-28-24-20-16-12-11-15-19-21-25-29-41-81-64(77)60(57)68)53-40-39-52(76-53)56-51-38-37-50(75-51)55(49-36-35-48(54)74-49)58-61(69(58,3)4)65(78)82-42-30-26-22-17-13-9-10-14-18-23-27-31-43-83-66(79)62-59(56)70(62,5)6/h33-40,45,57-63,73,75H,9-32,41-44H2,1-8H3/b46-45-,54-47+,55-49+,56-52+
InChIKey BNLSCNSLTQUTPK-FKOHNHKWSA-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 1147.592 g/mol
Sample ID 41515
Solvent CDCl3