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YPLHLZLRIUCMDH-AQWWNALJSA-N
SpectraBase Compound ID HtMvCWIJMrV
InChI InChI=1S/C76H82N8O2/c1-7-81(8-2)69-33-25-59(26-34-69)13-17-63-41-45-77-73(53-63)75-55-65(43-47-79-75)19-15-61-29-37-71(38-30-61)83(11-5)49-51-85-57-67-21-23-68(24-22-67)58-86-52-50-84(12-6)72-39-31-62(32-40-72)16-20-66-44-48-80-76(56-66)74-54-64(42-46-78-74)18-14-60-27-35-70(36-28-60)82(9-3)10-4/h13-48,53-56H,7-12,49-52,57-58H2,1-6H3/b17-13+,18-14+,19-15+,20-16+
InChIKey YPLHLZLRIUCMDH-AQWWNALJSA-N
Mol Weight 1139.5 g/mol
Molecular Formula C76H82N8O2
Exact Mass 1138.656074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 640JXN335ut
Name YPLHLZLRIUCMDH-AQWWNALJSA-N
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C76H82N8O2
InChI InChI=1S/C76H82N8O2/c1-7-81(8-2)69-33-25-59(26-34-69)13-17-63-41-45-77-73(53-63)75-55-65(43-47-79-75)19-15-61-29-37-71(38-30-61)83(11-5)49-51-85-57-67-21-23-68(24-22-67)58-86-52-50-84(12-6)72-39-31-62(32-40-72)16-20-66-44-48-80-76(56-66)74-54-64(42-46-78-74)18-14-60-27-35-70(36-28-60)82(9-3)10-4/h13-48,53-56H,7-12,49-52,57-58H2,1-6H3/b17-13+,18-14+,19-15+,20-16+
InChIKey YPLHLZLRIUCMDH-AQWWNALJSA-N
Literature Reference Author T.L.BOUDER,O.MAURY,A.BONDON,K.COSTUAS,E.AMOUYAL,I.LEDOUX,J.Z YSS,H.L.BOZEC
Literature Reference Citation J.AM.CHEM.SOC.,125,12284(2003)
Literature Reference DOI 10.1021/ja030296j
Molecular Weight 1139.539 g/mol
Sample ID 50488
Solvent CD2Cl2