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YNODIMGAHKYTNF-UHFFFAOYSA-L

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YNODIMGAHKYTNF-UHFFFAOYSA-L
SpectraBase Compound ID KAZOg2fBHS9
InChI InChI=1S/C20H31FN2O4.Ca.2ClHO4/c21-20-18-2-1-3-19(20)17-23-6-10-26-14-12-24-8-4-22(16-18)5-9-25-13-15-27-11-7-23;;2*2-1(3,4)5/h1-3H,4-17H2;;2*(H,2,3,4,5)/q;+2;;/p-2
InChIKey YNODIMGAHKYTNF-UHFFFAOYSA-L
Mol Weight 621.45 g/mol
Molecular Formula C20H31CaCl2FN2O12
Exact Mass 620.086399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Q7e7MzG9aa
Name YNODIMGAHKYTNF-UHFFFAOYSA-L
Compound Number FN2O4.CA(CLO4)2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31CaCl2FN2O12
InChI InChI=1S/C20H31FN2O4.Ca.2ClHO4/c21-20-18-2-1-3-19(20)17-23-6-10-26-14-12-24-8-4-22(16-18)5-9-25-13-15-27-11-7-23;;2*2-1(3,4)5/h1-3H,4-17H2;;2*(H,2,3,4,5)/q;+2;;/p-2
InChIKey YNODIMGAHKYTNF-UHFFFAOYSA-L
Literature Reference Author H.PLENIO,R.DIODONE
Literature Reference Citation J.AM.CHEM.SOC.,118,356(1996)
Literature Reference DOI 10.1021/ja952928a
Molecular Weight 621.457 g/mol
Sample ID 57200
Solvent CD3CN