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4-[1,1,1,3,3,3-HEXAFLUORO-2-(PROPAN-2-OL)]-BENZOIC-ACID-METHYLESTER
SpectraBase Compound ID H9IPMSkAAhG
InChI InChI=1S/C11H8F6O3/c1-20-8(18)6-2-4-7(5-3-6)9(19,10(12,13)14)11(15,16)17/h2-5,19H,1H3
InChIKey LMIJOJIBBVUFFP-UHFFFAOYSA-N
Mol Weight 302.17 g/mol
Molecular Formula C11H8F6O3
Exact Mass 302.037763 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6PBDVvPEo4V
Name 4-[1,1,1,3,3,3-HEXAFLUORO-2-(PROPAN-2-OL)]-BENZOIC-ACID-METHYLESTER
Compound Number 2644
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H8F6O3
InChI InChI=1S/C11H8F6O3/c1-20-8(18)6-2-4-7(5-3-6)9(19,10(12,13)14)11(15,16)17/h2-5,19H,1H3
InChIKey LMIJOJIBBVUFFP-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 302.173 g/mol
Sample ID 3991
Solvent CDCl3