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2,3,5,8-Tetraphenyl-7-pyrido[3,4-B]pyrazinecarboxylic acid ethyl ester
SpectraBase Compound ID HcwIuOm3au9
InChI InChI=1S/C34H25N3O2/c1-2-39-34(38)32-27(23-15-7-3-8-16-23)31-33(30(36-32)26-21-13-6-14-22-26)37-29(25-19-11-5-12-20-25)28(35-31)24-17-9-4-10-18-24/h3-22H,2H2,1H3
InChIKey GNVTYEMXSZMNMK-UHFFFAOYSA-N
Mol Weight 507.6 g/mol
Molecular Formula C34H25N3O2
Exact Mass 507.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hseclr4TLKz
Name 2,3,5,8-Tetraphenyl-7-pyrido[3,4-B]pyrazinecarboxylic acid ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 507.194677055 u
Formula C34H25N3O2
InChI InChI=1S/C34H25N3O2/c1-2-39-34(38)32-27(23-15-7-3-8-16-23)31-33(30(36-32)26-21-13-6-14-22-26)37-29(25-19-11-5-12-20-25)28(35-31)24-17-9-4-10-18-24/h3-22H,2H2,1H3
InChIKey GNVTYEMXSZMNMK-UHFFFAOYSA-N
Molecular Weight 507.593 g/mol
SMILES C=12C(N=C(C(=N2)C=2C=CC=CC2)C=2C=CC=CC2)=C(C2=CC=CC=C2)C(=NC1C=1C=CC=CC1)C(=O)OCC