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ALPHA-CYANO-ALPHA-FLUORO-PARA-TOLYLACETIC-ACID-(1R,2R,3R,6S)-4-HYDROXY-4,7,7-TRIMETHYL-BICYCLO-[4.1.0]-HEPT-3-YLESTER;(S)-CFTA-ESTER;LESS-POLAR-ISOMER
SpectraBase Compound ID JEnmxvWOEbZ
InChI InChI=1S/C20H24FNO3/c1-12-5-7-13(8-6-12)20(21,11-22)17(23)25-16-9-14-15(18(14,2)3)10-19(16,4)24/h5-8,14-16,24H,9-10H2,1-4H3/t14-,15+,16-,19-,20?/m1/s1
InChIKey MGOFNSKJRFGNCU-SECFFGBRSA-N
Mol Weight 345.41 g/mol
Molecular Formula C20H24FNO3
Exact Mass 345.174022 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKDDlViScUK
Name ALPHA-CYANO-ALPHA-FLUORO-PARA-TOLYLACETIC-ACID-(1R,2R,3R,6S)-4-HYDROXY-4,7,7-TRIMETHYL-BICYCLO-[4.1.0]-HEPT-3-YLESTER;(S)-CFTA-ESTER;LESS-POLAR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24FNO3
InChI InChI=1S/C20H24FNO3/c1-12-5-7-13(8-6-12)20(21,11-22)17(23)25-16-9-14-15(18(14,2)3)10-19(16,4)24/h5-8,14-16,24H,9-10H2,1-4H3/t14-,15+,16-,19-,20?/m1/s1
InChIKey MGOFNSKJRFGNCU-SECFFGBRSA-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 UWLU49596