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DIBENZYL-(S)-8-[2-(2,2,2-TRIFLUORO-1-METHOXYETHYL)-PHENYL]-1,2,6,7-TETRAMETHYL-4,4-DIFLUORO-4-BORA-3A,4A-DIAZA-S-INDACENE-3,5-DICARBOXYLATE

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DIBENZYL-(S)-8-[2-(2,2,2-TRIFLUORO-1-METHOXYETHYL)-PHENYL]-1,2,6,7-TETRAMETHYL-4,4-DIFLUORO-4-BORA-3A,4A-DIAZA-S-INDACENE-3,5-DICARBOXYLATE
SpectraBase Compound ID AApRmiAFB1q
InChI InChI=1S/C38H34BF5N2O5/c1-22-24(3)33(36(47)50-20-26-14-8-6-9-15-26)45-31(22)30(28-18-12-13-19-29(28)35(49-5)38(40,41)42)32-23(2)25(4)34(46(32)39(45,43)44)37(48)51-21-27-16-10-7-11-17-27/h6-19,35H,20-21H2,1-5H3/t35-/m0/s1
InChIKey ZDKLQTJOZNTDLT-DHUJRADRSA-N
Mol Weight 704.5 g/mol
Molecular Formula C38H34BF5N2O5
Exact Mass 704.248093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FdosL1Rl656
Name DIBENZYL-(S)-8-[2-(2,2,2-TRIFLUORO-1-METHOXYETHYL)-PHENYL]-1,2,6,7-TETRAMETHYL-4,4-DIFLUORO-4-BORA-3A,4A-DIAZA-S-INDACENE-3,5-DICARBOXYLATE
Compound Number 9B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H34BF5N2O5
InChI InChI=1S/C38H34BF5N2O5/c1-22-24(3)33(36(47)50-20-26-14-8-6-9-15-26)45-31(22)30(28-18-12-13-19-29(28)35(49-5)38(40,41)42)32-23(2)25(4)34(46(32)39(45,43)44)37(48)51-21-27-16-10-7-11-17-27/h6-19,35H,20-21H2,1-5H3/t35-/m0/s1
InChIKey ZDKLQTJOZNTDLT-DHUJRADRSA-N
Literature Reference Author A.GOSSAUER,F.NYDEGGER,T.KISS,R.SLEZIAK,H.STOECKLI-EVANS
Literature Reference Citation J.AM.CHEM.SOC.,126,1772(2004)
Literature Reference DOI 10.1021/ja030542r
Molecular Weight 704.500 g/mol
Solvent CDCl3
Source File Reference UWMZ24026