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VBPQXIXINAPEDQ-YVKGQTFDSA-M

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VBPQXIXINAPEDQ-YVKGQTFDSA-M
SpectraBase Compound ID KFhmFQWkMxC
InChI InChI=1S/C15H26N2.C10H12NO.2Li/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-11-10(12)8-7-9-5-3-2-4-6-9;;/h12-15H,1-11H2;2-7H,8H2,1H3,(H,11,12);;/q;;;+1/p-1/t12-,13-,14-,15-;;;/m1.../s1/i;7+1;;
InChIKey VBPQXIXINAPEDQ-YVKGQTFDSA-M
Mol Weight 410.5 g/mol
Molecular Formula C2413CH37Li2N3O
Exact Mass 410.329025 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JJL9flHKp0
Name VBPQXIXINAPEDQ-YVKGQTFDSA-M
Compound Number 15/4-(13)C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C2413CH37Li2N3O
InChI InChI=1S/C15H26N2.C10H12NO.2Li/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-11-10(12)8-7-9-5-3-2-4-6-9;;/h12-15H,1-11H2;2-7H,8H2,1H3,(H,11,12);;/q;;;+1/p-1/t12-,13-,14-,15-;;;/m1.../s1/i;7+1;;
InChIKey VBPQXIXINAPEDQ-YVKGQTFDSA-M
Literature Reference Author D.J.GALLAGHER,H.DU,S.A.LONG,P.BEAK
Literature Reference Citation J.AM.CHEM.SOC.,118,11391(1996)
Literature Reference DOI 10.1021/ja962430o
Molecular Weight 410.463 g/mol
Sample ID 54464
Solvent CDCl3