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4-Chloro-2-{4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl}phenol
SpectraBase Compound ID 25c40BUX98b
InChI InChI=1S/C25H21ClN2O/c1-28(2)21-11-8-17(9-12-21)19-14-23(18-6-4-3-5-7-18)27-24(15-19)22-16-20(26)10-13-25(22)29/h3-16,29H,1-2H3
InChIKey DHIQVXUIMGSCHK-UHFFFAOYSA-N
Mol Weight 400.91 g/mol
Molecular Formula C25H21ClN2O
Exact Mass 400.134241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1yePib7K4N
Name 4-Chloro-2-{4-[4-(dimethylamino)phenyl]-6-phenyl-2-pyridinyl}phenol
Comments Computed using HOSE algorithm
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Exact Mass 400.134241003 u
Formula C25H21ClN2O
InChI InChI=1S/C25H21ClN2O/c1-28(2)21-11-8-17(9-12-21)19-14-23(18-6-4-3-5-7-18)27-24(15-19)22-16-20(26)10-13-25(22)29/h3-16,29H,1-2H3
InChIKey DHIQVXUIMGSCHK-UHFFFAOYSA-N
Molecular Weight 400.909 g/mol
SMILES OC=1C(C=2N=C(C3=CC=CC=C3)C=C(C2)C=2C=CC(=CC2)N(C)C)=CC(=CC1)Cl