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TERT.-BUTYL-(S)-3-[METHOXY-(TRIFLUOAREMETHYL)-PHENYL-ACETIC-ACID]-3-(2,6-DICHLOROPHENYL)-PROPANOATE
SpectraBase Compound ID Af24j2GQWZO
InChI InChI=1S/C23H23Cl2F3O5/c1-21(2,3)33-18(29)13-17(19-15(24)11-8-12-16(19)25)32-20(30)22(31-4,23(26,27)28)14-9-6-5-7-10-14/h5-12,17H,13H2,1-4H3/t17-,22+/m0/s1
InChIKey HXCGVVQQJKDQGN-HTAPYJJXSA-N
Mol Weight 507.33 g/mol
Molecular Formula C23H23Cl2F3O5
Exact Mass 506.087464 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JPsDsvJc8Px
Name TERT.-BUTYL-3-[METHOXY-(TRIFLUOAREMETHYL)-PHENYL-ACETIC-ACID]-3-(2,6-DICHLOROPHENYL)-PROPANOATE
Compound Number (S)-RAC-2I-(R)-MTPA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H23Cl2F3O5
InChI InChI=1S/C23H23Cl2F3O5/c1-21(2,3)33-18(29)13-17(19-15(24)11-8-12-16(19)25)32-20(30)22(31-4,23(26,27)28)14-9-6-5-7-10-14/h5-12,17H,13H2,1-4H3/t17-,22+/m0/s1
InChIKey HXCGVVQQJKDQGN-HTAPYJJXSA-N
Literature Reference Author A.E.DIAZ-ALVAREZ,L.MESAS-SANCHEZ,P.DINER
Literature Reference Citation MOLECULES,19,14273(2014)
Literature Reference DOI 10.3390/molecules190914273
Solvent Unknown
Source File Reference UWIR15395