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ALPHA-ISOMER
SpectraBase Compound ID 6IpbYvmoQi9
InChI InChI=1S/C27H25F3N2O7/c1-15-4-8-17(9-5-15)24(33)37-14-21-20(39-25(34)18-10-6-16(2)7-11-18)12-22(38-21)32-13-19(27(28,29)30)23(36-3)31-26(32)35/h4-11,13,20-22H,12,14H2,1-3H3/t20-,21+,22-/m1/s1
InChIKey XYRQMSZSXHIDAS-BHIFYINESA-N
Mol Weight 546.5 g/mol
Molecular Formula C27H25F3N2O7
Exact Mass 546.161386 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvQ9eetrTEB
Name (ALPHA-ISOMER)
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H25F3N2O7
InChI InChI=1S/C27H25F3N2O7/c1-15-4-8-17(9-5-15)24(33)37-14-21-20(39-25(34)18-10-6-16(2)7-11-18)12-22(38-21)32-13-19(27(28,29)30)23(36-3)31-26(32)35/h4-11,13,20-22H,12,14H2,1-3H3/t20-,21+,22-/m1/s1
InChIKey XYRQMSZSXHIDAS-BHIFYINESA-N
Literature Reference Author K.J.RYAN,E.M.ACTON,L.GOODMAN
Literature Reference Citation J.ORG.CHEM.,31,1181(1966)
Literature Reference DOI 10.1021/jo01342a046
Solvent ACETONE-D6
Source File Reference UWPS1529