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1-(2-Methylquinazolin-4-yl)-2-naphthyl(trifluoromethyl)sulfonate
SpectraBase Compound ID AFXCSizeSQR
InChI InChI=1S/C20H13F3N2O3S/c1-12-24-16-9-5-4-8-15(16)19(25-12)18-14-7-3-2-6-13(14)10-11-17(18)28-29(26,27)20(21,22)23/h2-11H,1H3
InChIKey OIHBMISYSAQVEQ-UHFFFAOYSA-N
Mol Weight 418.39 g/mol
Molecular Formula C20H13F3N2O3S
Exact Mass 418.059898 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5AgngK04me4
Name 1-(2-METHYL-QUINAZOLIN-4-YL)-2-NAPHTHYL-(TRIFLUOROMETHYL)-SULFONATE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13F3N2O3S
InChI InChI=1S/C20H13F3N2O3S/c1-12-24-16-9-5-4-8-15(16)19(25-12)18-14-7-3-2-6-13(14)10-11-17(18)28-29(26,27)20(21,22)23/h2-11H,1H3
InChIKey OIHBMISYSAQVEQ-UHFFFAOYSA-N
Literature Reference Author D.J.CONNOLY,P.M.LACEY,M.MCCARTHY,C.P.SAUNDERS,A.M.CARROLL,R. GODDARD,P.J.GUIRY
Literature Reference Citation J.ORG.CHEM.,69,6572(2004)
Literature Reference DOI 10.1021/jo049195+
Molecular Weight 418.390 g/mol
Solvent CDCl3
Source File Reference UWVN22469