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DBFQHKSRUVAFSN-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR

DBFQHKSRUVAFSN-UHFFFAOYSA-N
SpectraBase Compound ID 72FLYZXkp1H
InChI InChI=1S/C66H86N12O8/c1-15-73(16-2)61(79)45-27-43(13)67-55(33-45)57-35-47(63(81)75(19-5)20-6)29-51(69-57)39-85-41-53-31-49(65(83)77(23-9)24-10)37-59(71-53)60-38-50(66(84)78(25-11)26-12)32-54(72-60)42-86-40-52-30-48(64(82)76(21-7)22-8)36-58(70-52)56-34-46(28-44(14)68-56)62(80)74(17-3)18-4/h27-38H,15-26,39-42H2,1-14H3
InChIKey DBFQHKSRUVAFSN-UHFFFAOYSA-N
Mol Weight 1175.5 g/mol
Molecular Formula C66H86N12O8
Exact Mass 1174.669158 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CKUeUo44DZD
Name DBFQHKSRUVAFSN-UHFFFAOYSA-N
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C66H86N12O8
InChI InChI=1S/C66H86N12O8/c1-15-73(16-2)61(79)45-27-43(13)67-55(33-45)57-35-47(63(81)75(19-5)20-6)29-51(69-57)39-85-41-53-31-49(65(83)77(23-9)24-10)37-59(71-53)60-38-50(66(84)78(25-11)26-12)32-54(72-60)42-86-40-52-30-48(64(82)76(21-7)22-8)36-58(70-52)56-34-46(28-44(14)68-56)62(80)74(17-3)18-4/h27-38H,15-26,39-42H2,1-14H3
InChIKey DBFQHKSRUVAFSN-UHFFFAOYSA-N
Literature Reference Author M.M.HARDING,U.KOERT,J.M.LEHN,A.MARQUIS-RIGAULT,C.PIGUET,J.SI EGEL
Literature Reference Citation HELV.CHIM.ACTA,74,594(1991)
Literature Reference DOI 10.1002/hlca.19910740317
Molecular Weight 1175.484 g/mol
Solvent CDCl3
Source File Reference UWVP6310