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(SYN)-(2R,3R/2S,3S)-METHYL-3-HYDROXY-2-METHYL-3-[4'-(TRIFLUOROMETHYL)-PHENYL]-PROPANOATE
SpectraBase Compound ID JKcXq7HDZ9J
InChI InChI=1S/C12H13F3O3/c1-7(11(17)18-2)10(16)8-3-5-9(6-4-8)12(13,14)15/h3-7,10,16H,1-2H3/t7-,10-/m0/s1
InChIKey KIHPULCEYCCANH-XVKPBYJWSA-N
Mol Weight 262.23 g/mol
Molecular Formula C12H13F3O3
Exact Mass 262.081679 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID S7XlyI56GB
Name (SYN)-(2R,3R/2S,3S)-METHYL-3-HYDROXY-2-METHYL-3-[4'-(TRIFLUOROMETHYL)-PHENYL]-PROPANOATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3O3
InChI InChI=1S/C12H13F3O3/c1-7(11(17)18-2)10(16)8-3-5-9(6-4-8)12(13,14)15/h3-7,10,16H,1-2H3/t7-,10-/m0/s1
InChIKey KIHPULCEYCCANH-XVKPBYJWSA-N
Literature Reference Author M.ISODA,K.SATO,Y.TOKURA,A.TARUI,M.OMOTE,A.ANDO
Literature Reference Citation CHEM.PHARM.BULL.,62,956(2014)
Literature Reference DOI 10.1248/cpb.c14-00223
Solvent CDCl3
Source File Reference UWBT14101