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4-(3-Bromophenylamino)-2-(4-methoxyphenyl)quinazoline

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(3-Bromophenylamino)-2-(4-methoxyphenyl)quinazoline
SpectraBase Compound ID 1kHmmZHX22r
InChI InChI=1S/C21H16BrN3O/c1-26-17-11-9-14(10-12-17)20-24-19-8-3-2-7-18(19)21(25-20)23-16-6-4-5-15(22)13-16/h2-13H,1H3,(H,23,24,25)
InChIKey HSXBKRYAWFPZFV-UHFFFAOYSA-N
Mol Weight 406.28 g/mol
Molecular Formula C21H16BrN3O
Exact Mass 405.047675 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTiZFAGKHSe
Name 4-(3-Bromophenylamino)-2-(4-methoxyphenyl)quinazoline
Comments Computed using HOSE algorithm
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Exact Mass 405.047675146 u
Formula C21H16BrN3O
InChI InChI=1S/C21H16BrN3O/c1-26-17-11-9-14(10-12-17)20-24-19-8-3-2-7-18(19)21(25-20)23-16-6-4-5-15(22)13-16/h2-13H,1H3,(H,23,24,25)
InChIKey HSXBKRYAWFPZFV-UHFFFAOYSA-N
Molecular Weight 406.283 g/mol
SMILES C=1(N=C(C2=CC=C(C=C2)OC)N=C2C1C=CC=C2)NC=1C=C(Br)C=CC1