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QNLSUBMGWWCSHV-UHFFFAOYSA-L

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QNLSUBMGWWCSHV-UHFFFAOYSA-L
SpectraBase Compound ID C7UC86ibIk0
InChI InChI=1S/C46H70N4.2C2H4O2/c1-11-15-19-41-42(20-16-12-2)48-30-36-24-38(28-40(26-36)46(8,9)10)32-50-34-49(43(21-17-13-3)44(50)22-18-14-4)31-37-23-35(29-47(41)33-48)25-39(27-37)45(5,6)7;2*1-2(3)4/h23-28,33-34H,11-22,29-32H2,1-10H3;2*1H3,(H,3,4)/q+2;;/p-2
InChIKey QNLSUBMGWWCSHV-UHFFFAOYSA-L
Mol Weight 797.182 g/mol
Molecular Formula C50H76N4O4
Exact Mass 796.586657 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KY4YqFF7rfO
Name QNLSUBMGWWCSHV-UHFFFAOYSA-L
Compound Number 4D.2OAC
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H76N4O4
InChI InChI=1S/C46H70N4.2C2H4O2/c1-11-15-19-41-42(20-16-12-2)48-30-36-24-38(28-40(26-36)46(8,9)10)32-50-34-49(43(21-17-13-3)44(50)22-18-14-4)31-37-23-35(29-47(41)33-48)25-39(27-37)45(5,6)7;2*1-2(3)4/h23-28,33-34H,11-22,29-32H2,1-10H3;2*1H3,(H,3,4)/q+2;;/p-2
InChIKey QNLSUBMGWWCSHV-UHFFFAOYSA-L
Literature Reference Author E.ALCALDE,N.MESQUIDA,L.PEREZ-GARCIA
Literature Reference Citation EUR.J.ORG.CHEM.,3988(2006)
Molecular Weight 797.178 g/mol
Sample ID 44768
Solvent DMSO-D6