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2-(4-Fluorophenyl)-3-phenyl-4-(triphenylphosphoranylideneamino)quinoline
SpectraBase Compound ID GAV4cywWY8w
InChI InChI=1S/C39H28FN2P/c40-31-27-25-30(26-28-31)38-37(29-15-5-1-6-16-29)39(35-23-13-14-24-36(35)41-38)42-43(32-17-7-2-8-18-32,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-28H
InChIKey CBWVCWTVYOJSQY-UHFFFAOYSA-N
Mol Weight 574.6 g/mol
Molecular Formula C39H28FN2P
Exact Mass 574.197414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3M1P6cCkBtg
Name 2-(4-Fluorophenyl)-3-phenyl-4-(triphenylphosphoranylideneamino)quinoline
Comments Computed using HOSE algorithm
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Exact Mass 574.197414071 u
Formula C39H28FN2P
InChI InChI=1S/C39H28FN2P/c40-31-27-25-30(26-28-31)38-37(29-15-5-1-6-16-29)39(35-23-13-14-24-36(35)41-38)42-43(32-17-7-2-8-18-32,33-19-9-3-10-20-33)34-21-11-4-12-22-34/h1-28H
InChIKey CBWVCWTVYOJSQY-UHFFFAOYSA-N
Molecular Weight 574.639 g/mol
SMILES C1(N=P(C2=CC=CC=C2)(C=2C=CC=CC2)C2=CC=CC=C2)=C(C(C=2C=CC(=CC2)F)=NC=2C1=CC=CC2)C1=CC=CC=C1