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CIS-{2-(2,4-DIFLUOROPHENYL)-2-[1H-IMIDAZOL-1-YL]-METHYL-(1,3-DIOXOLAN-4-YL)}-METHYL-BENZOATE-NITRATE
SpectraBase Compound ID 9CIcuqX5tlj
InChI InChI=1S/C21H18F2N2O4.NO3/c22-16-6-7-18(19(23)10-16)21(13-25-9-8-24-14-25)28-12-17(29-21)11-27-20(26)15-4-2-1-3-5-15;2-1(3)4/h1-10,14,17H,11-13H2;/q;-1/p+1/t17-,21-;/m1./s1
InChIKey USEQTBFHBUBEAI-AYCGRUCCSA-O
Mol Weight 463.39 g/mol
Molecular Formula C21H19F2N3O7
Exact Mass 463.119106 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BkVvRgGWUxb
Name CIS-{2-(2,4-DIFLUOROPHENYL)-2-[1H-IMIDAZOL-1-YL]-METHYL-(1,3-DIOXOLAN-4-YL)}-METHYL-BENZOATE-NITRATE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19F2N3O7
InChI InChI=1S/C21H18F2N2O4.NO3/c22-16-6-7-18(19(23)10-16)21(13-25-9-8-24-14-25)28-12-17(29-21)11-27-20(26)15-4-2-1-3-5-15;2-1(3)4/h1-10,14,17H,11-13H2;/q;-1/p+1/t17-,21-;/m1./s1
InChIKey USEQTBFHBUBEAI-AYCGRUCCSA-O
Literature Reference Author D.R.CHAPMAN,L.BAUER
Literature Reference Citation J.HETCYCL.CHEM.,27,2053(1990)
Literature Reference DOI 10.1002/jhet.5570270738
Molecular Weight 463.395 g/mol
Solvent DMSO-D6
Source File Reference UWCP3324