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2-[2-(1-Naphthyl)vinyl]-3-(4-nitrophenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 1t7cQdHE9U5
InChI InChI=1S/C26H17N3O3/c30-26-23-10-3-4-11-24(23)27-25(28(26)20-13-15-21(16-14-20)29(31)32)17-12-19-8-5-7-18-6-1-2-9-22(18)19/h1-17H/b17-12+
InChIKey AMEIRTSHMPUIGO-SFQUDFHCSA-N
Mol Weight 419.44 g/mol
Molecular Formula C26H17N3O3
Exact Mass 419.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4mqAm4aXPyh
Name 2-[2-(1-Naphthyl)vinyl]-3-(4-nitrophenyl)-4(3H)-quinazolinone
Comments Computed using HOSE algorithm
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Exact Mass 419.126991416 u
Formula C26H17N3O3
InChI InChI=1S/C26H17N3O3/c30-26-23-10-3-4-11-24(23)27-25(28(26)20-13-15-21(16-14-20)29(31)32)17-12-19-8-5-7-18-6-1-2-9-22(18)19/h1-17H/b17-12+
InChIKey AMEIRTSHMPUIGO-SFQUDFHCSA-N
Molecular Weight 419.440 g/mol
SMILES C12=CC=CC=C2C(N(C(=N1)\C=C\C1=C2C(=CC=C1)C=CC=C2)C1=CC=C(C=C1)N(=O)=O)=O