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(S)-[1-(2)H]-[4-(TRIFLUOROMETHYL)-PHENYL]-METHYL-(S)-2-CYANO-2-FLUORO-2-(4-METHYLPHENYL)-ACETATE
SpectraBase Compound ID 3PxhUZF6UJ3
InChI InChI=1S/C18H13F4NO2/c1-12-2-6-14(7-3-12)17(19,11-23)16(24)25-10-13-4-8-15(9-5-13)18(20,21)22/h2-9H,10H2,1H3/t17-/m1/s1/i10D/t10-,17+/m0
InChIKey CHWMNHTUSORCEK-JNWFLMACSA-N
Mol Weight 352.31 g/mol
Molecular Formula C18H122HF4NO2
Exact Mass 352.094518 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eh8mj1P8T4y
Name (S)-[1-(2)H]-[4-(TRIFLUOROMETHYL)-PHENYL]-METHYL-(S)-2-CYANO-2-FLUORO-2-(4-METHYLPHENYL)-ACETATE
Compound Number (S)-CFTA- ESTER-OF-#16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H122HF4NO2
InChI InChI=1S/C18H13F4NO2/c1-12-2-6-14(7-3-12)17(19,11-23)16(24)25-10-13-4-8-15(9-5-13)18(20,21)22/h2-9H,10H2,1H3/t17-/m1/s1/i10D/t10-,17+/m0
InChIKey CHWMNHTUSORCEK-JNWFLMACSA-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 UWLU49626