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

View entire compound with spectra: 2 NMR

(R,R)-Ph2P-N-(4-mebz)-diphphenyl-imidazoline
SpectraBase Compound ID 2nl1f9JAD1X
InChI InChI=1S/C41H33N2OP/c1-30-26-28-33(29-27-30)41(44)43-39(32-18-8-3-9-19-32)38(31-16-6-2-7-17-31)42-40(43)36-24-14-15-25-37(36)45(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-29,38-39H,1H3/t38-,39-/m1/s1
InChIKey DCOOFIREMHPYDP-LJEWAXOPSA-N
Mol Weight 600.7 g/mol
Molecular Formula C41H33N2OP
Exact Mass 600.233051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1GlvHIHIcuW
Name (R,R)-Ph2P-N-(4-mebz)-diphphenyl-imidazoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.233050688 u
Formula C41H33N2OP
InChI InChI=1S/C41H33N2OP/c1-30-26-28-33(29-27-30)41(44)43-39(32-18-8-3-9-19-32)38(31-16-6-2-7-17-31)42-40(43)36-24-14-15-25-37(36)45(34-20-10-4-11-21-34)35-22-12-5-13-23-35/h2-29,38-39H,1H3/t38-,39-/m1/s1
InChIKey DCOOFIREMHPYDP-LJEWAXOPSA-N
Molecular Weight 600.702 g/mol
SMILES C1(P(C2=CC=CC=C2)C2=C(C=CC=C2)C=2N(C(=O)C3=CC=C(C=C3)C)[C@@]([C@](N2)(C2=CC=CC=C2)[H])(C2=CC=CC=C2)[H])=CC=CC=C1