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(R)-3,3'-[3,5-bis-(Trifluoromethyl)-phenyl]2-1,1'-binaphthyl-phosphate

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(R)-3,3'-[3,5-bis-(Trifluoromethyl)-phenyl]2-1,1'-binaphthyl-phosphate
SpectraBase Compound ID HXDVMgz3b2W
InChI InChI=1S/C36H17F12O3P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)51-52(49)50-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16,52H
InChIKey MTMCCCQMYYJYMS-UHFFFAOYSA-N
Mol Weight 756.5 g/mol
Molecular Formula C36H17F12O3P
Exact Mass 756.072369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ijzNTzbmY
Name (R)-3,3'-[3,5-bis-(Trifluoromethyl)-phenyl]2-1,1'-binaphthyl-phosphate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 756.072369358 u
Formula C36H17F12O3P
InChI InChI=1S/C36H17F12O3P/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)51-52(49)50-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16,52H
InChIKey MTMCCCQMYYJYMS-UHFFFAOYSA-N
Molecular Weight 756.484 g/mol
Nominal Mass 756 u
SMILES C(F)(C=1C=C(C=C(C=2C3=C(C4=C(C(=CC=5C=CC=CC45)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)OP(=O)O3)C3=C(C2)C=CC=C3)C1)C(F)(F)F)(F)F