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CAKPXGCYWSCQIS-UHFFFAOYSA-O

View entire compound with spectra: 2 NMR

CAKPXGCYWSCQIS-UHFFFAOYSA-O
SpectraBase Compound ID JZlNDrTAZE6
InChI InChI=1S/C12H27P.C7H6N4.2C4H7N2O2.Co/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6(5-3-1)7-8-10-11-9-7;2*1-3(5-7)4(2)6-8;/h4-12H2,1-3H3;1-5H,(H,8,9,10,11);2*7H,1-2H3;/q;;;;-1/p+1
InChIKey CAKPXGCYWSCQIS-UHFFFAOYSA-O
Mol Weight 636.6 g/mol
Molecular Formula C27H46CoN8O4P
Exact Mass 636.271158 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNMZaLwQ0vi
Name CAKPXGCYWSCQIS-UHFFFAOYSA-O
Compound Number I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H45CoN8O4P
InChI InChI=1S/C12H27P.C7H6N4.2C4H7N2O2.Co/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-2-4-6(5-3-1)7-8-10-11-9-7;2*1-3(5-7)4(2)6-8;/h4-12H2,1-3H3;1-5H,(H,8,9,10,11);2*7H,1-2H3;/q;;;;-1/p+1
InChIKey CAKPXGCYWSCQIS-UHFFFAOYSA-O
Literature Reference Author J.H.NELSON,N.E.TAKACH,R.A.HENRY,D.W.MOORE,W.M.TOLLES,G.A.GRA Y
Literature Reference Citation MAGN.RES.CHEM.,24,984(1986)
Literature Reference DOI 10.1002/mrc.1260241111
Solvent D2O
Source File Reference UWSF808