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SBYXQPHJDBHACV-UHFFFAOYSA-N

View entire compound with spectra: 5 NMR

SBYXQPHJDBHACV-UHFFFAOYSA-N
SpectraBase Compound ID 4Y5FQV71kzX
InChI InChI=1S/C52H69N3O6/c1-49(2,3)39-21-31-17-35-25-41(51(7,8)9)27-37-19-33-23-40(50(4,5)6)24-34(46(33)59)20-38-28-42(52(10,11)12)26-36(18-32(22-39)45(31)58)48(38)61-30-44(57)55-16-14-53-13-15-54-43(56)29-60-47(35)37/h21-28,53,58-59H,13-20,29-30H2,1-12H3,(H,54,56)(H,55,57)
InChIKey SBYXQPHJDBHACV-UHFFFAOYSA-N
Mol Weight 832.1 g/mol
Molecular Formula C52H69N3O6
Exact Mass 831.518637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LXdKDK7dfpr
Name SBYXQPHJDBHACV-UHFFFAOYSA-N
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H69N3O6
InChI InChI=1S/C52H69N3O6/c1-49(2,3)39-21-31-17-35-25-41(51(7,8)9)27-37-19-33-23-40(50(4,5)6)24-34(46(33)59)20-38-28-42(52(10,11)12)26-36(18-32(22-39)45(31)58)48(38)61-30-44(57)55-16-14-53-13-15-54-43(56)29-60-47(35)37/h21-28,53,58-59H,13-20,29-30H2,1-12H3,(H,54,56)(H,55,57)
InChIKey SBYXQPHJDBHACV-UHFFFAOYSA-N
Literature Reference Author F.BENEVELLI,J.KLINOWSKI,I.BITTER,A.GRUEN,B.BALAZS,G.TOTH
Literature Reference Citation J.CHEM.SOC.PERKIN-2,1187(2002)
Literature Reference DOI 10.1039/b110978m
Molecular Weight 832.136 g/mol
Solvent CDCl3
Source File Reference UWMZ22251