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(S)-[1-(2)H]-(4-METHYLPHENYL)-METHYL-(S)-2-CYANO-2-FLUORO-2-(4-METHYLPHENYL)-ACETATE
SpectraBase Compound ID KDbEYFv3mD0
InChI InChI=1S/C18H16FNO2/c1-13-3-7-15(8-4-13)11-22-17(21)18(19,12-20)16-9-5-14(2)6-10-16/h3-10H,11H2,1-2H3/t18-/m0/s1/i11D/t11-,18+/m1
InChIKey OWHAFKXBZUIWLE-JJBVQKTISA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H152HFNO2
Exact Mass 298.122784 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PKVM89PsCF
Name (S)-[1-(2)H]-(4-METHYLPHENYL)-METHYL-(S)-2-CYANO-2-FLUORO-2-(4-METHYLPHENYL)-ACETATE
Compound Number (S)-CFTA-ESTER-OF-#14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H152HFNO2
InChI InChI=1S/C18H16FNO2/c1-13-3-7-15(8-4-13)11-22-17(21)18(19,12-20)16-9-5-14(2)6-10-16/h3-10H,11H2,1-2H3/t18-/m0/s1/i11D/t11-,18+/m1
InChIKey OWHAFKXBZUIWLE-JJBVQKTISA-N
Literature Reference Author Y.TAKEUCHI,H.FUJISAWA,R.NOYORI
Literature Reference Citation ORG.LETTERS,6,4607(2004)
Literature Reference DOI 10.1021/ol0479489
Solvent CDCl3
Source File Reference UWLU49622