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(1-S)-1-[2-(1,3-DIOXOLAN-2-YL)-PHENYL]-2,2,2-TRIFLUOROETHYL_4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO-[2.2.1]-HEPTANE-1-CARBOXYLATE

View entire compound with spectra: 1 NMR

(1-S)-1-[2-(1,3-DIOXOLAN-2-YL)-PHENYL]-2,2,2-TRIFLUOROETHYL_4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO-[2.2.1]-HEPTANE-1-CARBOXYLATE
SpectraBase Compound ID HUQXYV1whGh
InChI InChI=1S/C21H23F3O6/c1-18(2)19(3)8-9-20(18,30-16(19)25)17(26)29-14(21(22,23)24)12-6-4-5-7-13(12)15-27-10-11-28-15/h4-7,14-15H,8-11H2,1-3H3/t14-,19+,20-/m1/s1
InChIKey BCJNLGFTYWHENP-VOBQZIQPSA-N
Mol Weight 428.4 g/mol
Molecular Formula C21H23F3O6
Exact Mass 428.144673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7EqbqK6RhwM
Name (1-S)-1-[2-(1,3-DIOXOLAN-2-YL)-PHENYL]-2,2,2-TRIFLUOROETHYL_4,7,7-TRIMETHYL-3-OXO-2-OXABICYCLO-[2.2.1]-HEPTANE-1-CARBOXYLATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23F3O6
InChI InChI=1S/C21H23F3O6/c1-18(2)19(3)8-9-20(18,30-16(19)25)17(26)29-14(21(22,23)24)12-6-4-5-7-13(12)15-27-10-11-28-15/h4-7,14-15H,8-11H2,1-3H3/t14-,19+,20-/m1/s1
InChIKey BCJNLGFTYWHENP-VOBQZIQPSA-N
Literature Reference Author A.GOSSAUER,F.NYDEGGER,T.KISS,R.SLEZIAK,H.STOECKLI-EVANS
Literature Reference Citation J.AM.CHEM.SOC.,126,1772(2004)
Literature Reference DOI 10.1021/ja030542r
Molecular Weight 428.405 g/mol
Solvent CDCl3
Source File Reference UWMZ24016