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(+/-)-9',9',9'-TRIFLUORO-ABA

View entire compound with spectra: 1 NMR

(+/-)-9',9',9'-TRIFLUORO-ABA
SpectraBase Compound ID 8f3sDc1MZUp
InChI InChI=1S/C15H17F3O4/c1-9(6-12(20)21)4-5-14(22)10(2)7-11(19)8-13(14,3)15(16,17)18/h4-7,22H,8H2,1-3H3,(H,20,21)/b5-4+,9-6-/t13-,14-/m0/s1
InChIKey YTKWREVWVRILSP-FCTZVKCYSA-N
Mol Weight 318.29 g/mol
Molecular Formula C15H17F3O4
Exact Mass 318.107894 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pL6vLSYSVB
Name (+/-)-9',9',9'-TRIFLUORO-ABA
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17F3O4
InChI InChI=1S/C15H17F3O4/c1-9(6-12(20)21)4-5-14(22)10(2)7-11(19)8-13(14,3)15(16,17)18/h4-7,22H,8H2,1-3H3,(H,20,21)/b5-4+,9-6-/t13-,14-/m0/s1
InChIKey YTKWREVWVRILSP-FCTZVKCYSA-N
Literature Reference Author Y.TODOROKI,N.HIRAI,K.KOSHIMIZU
Literature Reference Citation PHYTOCHEM.,38,561(1995)
Literature Reference DOI 10.1016/0031-9422(94)00693-N
Molecular Weight 318.293 g/mol
Solvent CD3OD
Source File Reference UWMS4856