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KDQQHCCDDUPTCC-XFMFIJQESA-N
SpectraBase Compound ID ASmWZY9WfBu
InChI InChI=1S/3C18H24N.Mo.NO/c3*1-11-3-12(2)5-17(4-11)19-18-15-7-13-6-14(9-15)10-16(18)8-13;;1-2/h3*3-5,13-16,18H,6-10H2,1-2H3;;/q3*-1;+4;-1/t3*13-,14+,15-,16+,18-;;/i;;;;1+1
InChIKey KDQQHCCDDUPTCC-XFMFIJQESA-N
Mol Weight 890.1 g/mol
Molecular Formula C54H72MoN315NO
Exact Mass 891.473052 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FW0ihxzpyb3
Name KDQQHCCDDUPTCC-XFMFIJQESA-N
Compound Number 2-(15)-NO
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H72MoN315NO
InChI InChI=1S/3C18H24N.Mo.NO/c3*1-11-3-12(2)5-17(4-11)19-18-15-7-13-6-14(9-15)10-16(18)8-13;;1-2/h3*3-5,13-16,18H,6-10H2,1-2H3;;/q3*-1;+4;-1/t3*13-,14+,15-,16+,18-;;/i;;;;1+1
InChIKey KDQQHCCDDUPTCC-XFMFIJQESA-N
Literature Reference Author J.P.F.CHERRY,A.R.JOHNSON,L.M.BARALDO,Y.C.TSAI,C.C.CUMMINS,S. V.KRYATOV,E.V.RYBAK-
Literature Reference Citation J.AM.CHEM.SOC.,123,7271(2001)
Literature Reference DOI 10.1021/ja0031063
Solvent C6D6
Source File Reference UWVN28330