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(1R,2R,3R,6S)-4-HYDROXY-4,7,7-TRIMETHYL-BICYCLO-[4.1.0]-HEPT-3-YL-(2S)-2-FLUORO-2-(4-PHENOXYPHENYL)-PROPIONATE
SpectraBase Compound ID L2reVXhBURH
InChI InChI=1S/C25H29FO4/c1-23(2)19-14-21(24(3,28)15-20(19)23)30-22(27)25(4,26)16-10-12-18(13-11-16)29-17-8-6-5-7-9-17/h5-13,19-21,28H,14-15H2,1-4H3/t19-,20+,21-,24-,25+/m1/s1
InChIKey QAFMOHVXITVULE-RMWGXBEESA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H29FO4
Exact Mass 412.204988 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5xAAoZJJF7k
Name (1R,2R,3R,6S)-4-HYDROXY-4,7,7-TRIMETHYL-BICYCLO-[4.1.0]-HEPT-3-YL-(2S)-2-FLUORO-2-(4-PHENOXYPHENYL)-PROPIONATE
Compound Number 9D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H29FO4
InChI InChI=1S/C25H29FO4/c1-23(2)19-14-21(24(3,28)15-20(19)23)30-22(27)25(4,26)16-10-12-18(13-11-16)29-17-8-6-5-7-9-17/h5-13,19-21,28H,14-15H2,1-4H3/t19-,20+,21-,24-,25+/m1/s1
InChIKey QAFMOHVXITVULE-RMWGXBEESA-N
Literature Reference Author H.FUJISAWA,T.FUJIWARA,Y.TAKEUCHI,K.OMATA
Literature Reference Citation CHEM.PHARM.BULL.,53,524(2005)
Literature Reference DOI 10.1248/cpb.53.524
Solvent CDCl3
Source File Reference UWLU54014