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(1-R,7-R)-9,9-DIMETHYL-4-HYDRIDO-4-OXO-2,2,6,6-TETRA-(2-TRIFLUOROMETHYLPHENYL)-3,5,8,10-TETRAOXA-4-PHOSPHABICYCLO-[5.3.0]-DECANE

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(1-R,7-R)-9,9-DIMETHYL-4-HYDRIDO-4-OXO-2,2,6,6-TETRA-(2-TRIFLUOROMETHYLPHENYL)-3,5,8,10-TETRAOXA-4-PHOSPHABICYCLO-[5.3.0]-DECANE
SpectraBase Compound ID 4ChIC7sTtVV
InChI InChI=1S/C35H25F12O5P/c1-29(2)49-27-28(50-29)31(21-13-5-9-17-25(21)34(42,43)44,22-14-6-10-18-26(22)35(45,46)47)52-53(48)51-30(27,19-11-3-7-15-23(19)32(36,37)38)20-12-4-8-16-24(20)33(39,40)41/h3-18,27-28,53H,1-2H3/t27-,28-/m0/s1
InChIKey YVLVJANZKSMUOO-NSOVKSMOSA-N
Mol Weight 784.5 g/mol
Molecular Formula C35H25F12O5P
Exact Mass 784.124799 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F89p8Zl0Pas
Name (1-R,7-R)-9,9-DIMETHYL-4-HYDRIDO-4-OXO-2,2,6,6-TETRA-(2-TRIFLUOROMETHYLPHENYL)-3,5,8,10-TETRAOXA-4-PHOSPHABICYCLO-[5.3.0]-DECANE
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H25F12O5P
InChI InChI=1S/C35H25F12O5P/c1-29(2)49-27-28(50-29)31(21-13-5-9-17-25(21)34(42,43)44,22-14-6-10-18-26(22)35(45,46)47)52-53(48)51-30(27,19-11-3-7-15-23(19)32(36,37)38)20-12-4-8-16-24(20)33(39,40)41/h3-18,27-28,53H,1-2H3/t27-,28-/m0/s1
InChIKey YVLVJANZKSMUOO-NSOVKSMOSA-N
Literature Reference Author X.LINGHU,J.R.POTNICK,J.S.JOHNSON
Literature Reference Citation J.AM.CHEM.SOC.,126,3070(2004)
Literature Reference DOI 10.1021/ja0496468
Solvent CDCl3
Source File Reference UWMZ21740