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(S)-[1-(2)H]-(4-BROMOPHENYL)-METHYL-(R)-2-CYANO-2-FLUORO-2-(4-METHYLPHENYL)-ACETATE
SpectraBase Compound ID E7PUkbF2he8
InChI InChI=1S/C17H13BrFNO2/c1-12-2-6-14(7-3-12)17(19,11-20)16(21)22-10-13-4-8-15(18)9-5-13/h2-9H,10H2,1H3/t17-/m1/s1/i10D/t10-,17-
InChIKey VDXMCDSTMAYYOS-ZPQXDTCBSA-N
Mol Weight 363.2 g/mol
Molecular Formula C17H122HBrFNO2
Exact Mass 362.017647 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Q6cTfrqhWD
Name (S)-[1-(2)H]-(4-BROMOPHENYL)-METHYL-(R)-2-CYANO-2-FLUORO-2-(4-METHYLPHENYL)-ACETATE
Compound Number (R)-CFTA-ESTER-OF-#17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H122HBrFNO2
InChI InChI=1S/C17H13BrFNO2/c1-12-2-6-14(7-3-12)17(19,11-20)16(21)22-10-13-4-8-15(18)9-5-13/h2-9H,10H2,1H3/t17-/m1/s1/i10D/t10-,17-
InChIKey VDXMCDSTMAYYOS-ZPQXDTCBSA-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 UWLU49629