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2-(4-chlorophenyl)-N-(4-methylphenyl)-4-quinazolinamine
SpectraBase Compound ID 6t11qmPp8xB
InChI InChI=1S/C21H16ClN3/c1-14-6-12-17(13-7-14)23-21-18-4-2-3-5-19(18)24-20(25-21)15-8-10-16(22)11-9-15/h2-13H,1H3,(H,23,24,25)
InChIKey JIHMXMYYDPMAMI-UHFFFAOYSA-N
Mol Weight 345.83 g/mol
Molecular Formula C21H16ClN3
Exact Mass 345.103275 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1UkrIzuMNHe
Name 2-(4-Chlorophenyl)-N-(4-methylphenyl)-4-quinazolinamine
Comments Computed using HOSE algorithm
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Exact Mass 345.103275227 u
Formula C21H16ClN3
InChI InChI=1S/C21H16ClN3/c1-14-6-12-17(13-7-14)23-21-18-4-2-3-5-19(18)24-20(25-21)15-8-10-16(22)11-9-15/h2-13H,1H3,(H,23,24,25)
InChIKey JIHMXMYYDPMAMI-UHFFFAOYSA-N
Molecular Weight 345.833 g/mol
SMILES N(C1=NC(C=2C=CC(=CC2)Cl)=NC=2C1=CC=CC2)C1=CC=C(C=C1)C