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Methyl 2-((1,2,4)triazolo(1,5-A)quinolin-2-yl)-4-quinolinecarboxylate
SpectraBase Compound ID A491zsq61wv
InChI InChI=1S/C21H14N4O2/c1-27-21(26)15-12-17(22-16-8-4-3-7-14(15)16)20-23-19-11-10-13-6-2-5-9-18(13)25(19)24-20/h2-12H,1H3
InChIKey BEWPXCOBPPYLPY-UHFFFAOYSA-N
Mol Weight 354.37 g/mol
Molecular Formula C21H14N4O2
Exact Mass 354.111676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8wUkv0qKCi8
Name Methyl 2-((1,2,4)triazolo(1,5-A)quinolin-2-yl)-4-quinolinecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 354.111675705 u
Formula C21H14N4O2
InChI InChI=1S/C21H14N4O2/c1-27-21(26)15-12-17(22-16-8-4-3-7-14(15)16)20-23-19-11-10-13-6-2-5-9-18(13)25(19)24-20/h2-12H,1H3
InChIKey BEWPXCOBPPYLPY-UHFFFAOYSA-N
Molecular Weight 354.369 g/mol
SMILES C1=2C=CC=3N(C2C=CC=C1)N=C(N3)C1=CC(=C2C(=N1)C=CC=C2)C(OC)=O