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2-bis[3,5-bis(Trifluoromethyl)phenyl]phosphoryl-1-(2-methoxynaphthalen-1-yl)naphthalene

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2-bis[3,5-bis(Trifluoromethyl)phenyl]phosphoryl-1-(2-methoxynaphthalen-1-yl)naphthalene
SpectraBase Compound ID INW2wuCxlXd
InChI InChI=1S/C37H21F12O2P/c1-51-30-12-10-20-6-2-4-8-28(20)32(30)33-29-9-5-3-7-21(29)11-13-31(33)52(50,26-16-22(34(38,39)40)14-23(17-26)35(41,42)43)27-18-24(36(44,45)46)15-25(19-27)37(47,48)49/h2-19H,1H3
InChIKey RHXNBIBPKDCIEF-UHFFFAOYSA-N
Mol Weight 756.5 g/mol
Molecular Formula C37H21F12O2P
Exact Mass 756.108755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1H2CMmv8om0
Name 2-bis[3,5-bis(Trifluoromethyl)phenyl]phosphoryl-1-(2-methoxynaphthalen-1-yl)naphthalene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 756.108754868 u
Formula C37H21F12O2P
InChI InChI=1S/C37H21F12O2P/c1-51-30-12-10-20-6-2-4-8-28(20)32(30)33-29-9-5-3-7-21(29)11-13-31(33)52(50,26-16-22(34(38,39)40)14-23(17-26)35(41,42)43)27-18-24(36(44,45)46)15-25(19-27)37(47,48)49/h2-19H,1H3
InChIKey RHXNBIBPKDCIEF-UHFFFAOYSA-N
Molecular Weight 756.528 g/mol
SMILES C1(OC)=CC=C2C=CC=CC2=C1C1=C2C=CC=CC2=CC=C1P(=O)(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1