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VRHDCRUQZYOPKO-UHFFFAOYSA-L

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VRHDCRUQZYOPKO-UHFFFAOYSA-L
SpectraBase Compound ID HUVEsc2CR4T
InChI InChI=1S/C18H27FN2O3.Ca.2ClHO4/c19-18-16-2-1-3-17(18)15-21-5-9-22-8-4-20(14-16)6-10-23-12-13-24-11-7-21;;2*2-1(3,4)5/h1-3H,4-15H2;;2*(H,2,3,4,5)/q;+2;;/p-2
InChIKey VRHDCRUQZYOPKO-UHFFFAOYSA-L
Mol Weight 577.4 g/mol
Molecular Formula C18H27CaCl2FN2O11
Exact Mass 576.060184 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L2HVjkCtDXM
Name VRHDCRUQZYOPKO-UHFFFAOYSA-L
Compound Number FN2O3.CA(CLO4)2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H27CaCl2FN2O11
InChI InChI=1S/C18H27FN2O3.Ca.2ClHO4/c19-18-16-2-1-3-17(18)15-21-5-9-22-8-4-20(14-16)6-10-23-12-13-24-11-7-21;;2*2-1(3,4)5/h1-3H,4-15H2;;2*(H,2,3,4,5)/q;+2;;/p-2
InChIKey VRHDCRUQZYOPKO-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 577.404 g/mol
Sample ID 57193
Solvent CD3CN