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AGDUIDSYMJDHRQ-JVSLRRTQSA-N
SpectraBase Compound ID GVBpw5gC5Bk
InChI InChI=1S/2C18H20NO.2C4H8O.2C4H7.4Li/c2*20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15;2*1-2-4-5-3-1;2*1-3-4-2;;;;/h2*1-6,9-12,17-18H,7-8,13-14H2;2*1-4H2;2*3-4H2,1H3;;;;/t2*17-,18+;;;;;;;;/m00......../s1
InChIKey AGDUIDSYMJDHRQ-JVSLRRTQSA-N
Mol Weight 814.9 g/mol
Molecular Formula C52H70Li4N2O4
Exact Mass 814.597572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xnSNGq9Alc
Name AGDUIDSYMJDHRQ-JVSLRRTQSA-N
Compound Number 21B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H70Li4N2O4
InChI InChI=1S/2C18H20NO.2C4H8O.2C4H7.4Li/c2*20-18(16-11-5-2-6-12-16)17(19-13-7-8-14-19)15-9-3-1-4-10-15;2*1-2-4-5-3-1;2*1-3-4-2;;;;/h2*1-6,9-12,17-18H,7-8,13-14H2;2*1-4H2;2*3-4H2,1H3;;;;/t2*17-,18+;;;;;;;;/m00......../s1
InChIKey AGDUIDSYMJDHRQ-JVSLRRTQSA-N
Literature Reference Author X.SUN,M.D.WINEMILLER,B.XIANG,D.B.COLLUM
Literature Reference Citation J.AM.CHEM.SOC.,123,8039(2001)
Literature Reference DOI 10.1021/ja010136c
Molecular Weight 814.903 g/mol
Solvent Unknown
Source File Reference UWLU33268