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(R,R)-Ph2P-N-(4-trifluoromethylbenzoyl)-diphphenyl-imidazoline

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(R,R)-Ph2P-N-(4-trifluoromethylbenzoyl)-diphphenyl-imidazoline
SpectraBase Compound ID 6l9mTNfRKFu
InChI InChI=1S/C41H30F3N2OP/c42-41(43,44)32-27-25-31(26-28-32)40(47)46-38(30-17-7-2-8-18-30)37(29-15-5-1-6-16-29)45-39(46)35-23-13-14-24-36(35)48(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-28,37-38H/t37-,38-/m1/s1
InChIKey QZYUZAXQJMRVBN-XPSQVAKYSA-N
Mol Weight 654.7 g/mol
Molecular Formula C41H30F3N2OP
Exact Mass 654.204785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3D9iVEGYBWo
Name (R,R)-Ph2P-N-(4-trifluoromethylbenzoyl)-diphphenyl-imidazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 654.204785080 u
Formula C41H30F3N2OP
InChI InChI=1S/C41H30F3N2OP/c42-41(43,44)32-27-25-31(26-28-32)40(47)46-38(30-17-7-2-8-18-30)37(29-15-5-1-6-16-29)45-39(46)35-23-13-14-24-36(35)48(33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-28,37-38H/t37-,38-/m1/s1
InChIKey QZYUZAXQJMRVBN-XPSQVAKYSA-N
Molecular Weight 654.673 g/mol
SMILES C1(P(C2=CC=CC=C2)C2=C(C=CC=C2)C=2N(C(=O)C3=CC=C(C=C3)C(F)(F)F)[C@@]([C@](N2)(C2=CC=CC=C2)[H])(C2=CC=CC=C2)[H])=CC=CC=C1