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(S,S)-Ph2P-N-2-naphthoyl-bis-(4-fluorophenyl)-imidazoline

View entire compound with spectra: 2 NMR

(S,S)-Ph2P-N-2-naphthoyl-bis-(4-fluorophenyl)-imidazoline
SpectraBase Compound ID 9S6blGjOokc
InChI InChI=1S/C44H31F2N2OP/c45-35-25-21-31(22-26-35)41-42(32-23-27-36(46)28-24-32)48(44(49)34-20-19-30-11-7-8-12-33(30)29-34)43(47-41)39-17-9-10-18-40(39)50(37-13-3-1-4-14-37)38-15-5-2-6-16-38/h1-29,41-42H/t41-,42-/m0/s1
InChIKey CSWNIOJKTCUMSP-COCZKOEFSA-N
Mol Weight 672.7 g/mol
Molecular Formula C44H31F2N2OP
Exact Mass 672.214207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ6GZDgpPz4
Name (S,S)-Ph2P-N-2-naphthoyl-bis-(4-fluorophenyl)-imidazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 672.214206949 u
Formula C44H31F2N2OP
InChI InChI=1S/C44H31F2N2OP/c45-35-25-21-31(22-26-35)41-42(32-23-27-36(46)28-24-32)48(44(49)34-20-19-30-11-7-8-12-33(30)29-34)43(47-41)39-17-9-10-18-40(39)50(37-13-3-1-4-14-37)38-15-5-2-6-16-38/h1-29,41-42H/t41-,42-/m0/s1
InChIKey CSWNIOJKTCUMSP-COCZKOEFSA-N
Molecular Weight 672.716 g/mol
SMILES C1(P(C2=CC=CC=C2)C2=C(C=CC=C2)C=2N(C(=O)C3=CC=C4C=CC=CC4=C3)[C@]([C@@](N2)(C2=CC=C(C=C2)F)[H])(C2=CC=C(C=C2)F)[H])=CC=CC=C1