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COMPLEX-CA(2+)

View entire compound with spectra: 1 NMR

COMPLEX-CA(2+)
SpectraBase Compound ID I4vwsJuDfN0
InChI InChI=1S/C26H28N2O4.Ca/c1-3-27(21-13-7-5-8-14-21)25(29)19-31-23-17-11-12-18-24(23)32-20-26(30)28(4-2)22-15-9-6-10-16-22;/h5-18H,3-4,19-20H2,1-2H3;/q;+2
InChIKey ITDWTEVXMJTOJM-UHFFFAOYSA-N
Mol Weight 472.6 g/mol
Molecular Formula C26H28CaN2O4
Exact Mass 472.167498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BVBSQNg0JjC
Name COMPLEX-CA(2+)
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H28CaN2O4
InChI InChI=1S/C26H28N2O4.Ca/c1-3-27(21-13-7-5-8-14-21)25(29)19-31-23-17-11-12-18-24(23)32-20-26(30)28(4-2)22-15-9-6-10-16-22;/h5-18H,3-4,19-20H2,1-2H3;/q;+2
InChIKey ITDWTEVXMJTOJM-UHFFFAOYSA-N
Literature Reference Author W.O.LIN,M.C.B.V.DESOUZA,H.G.ALT
Literature Reference Citation QUIM.NOVA,11,393(1988)
Molecular Weight 472.599 g/mol
Solvent ACETONE-D6
Source File Reference UWBT12620