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4'-(4-Ethoxycarbonylphenyl)-2,2':6',2"-terpyridine

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

4'-(4-Ethoxycarbonylphenyl)-2,2':6',2"-terpyridine
SpectraBase Compound ID 2OqE7mm1gVB
InChI InChI=1S/C24H19N3O2/c1-2-29-24(28)18-11-9-17(10-12-18)19-15-22(20-7-3-5-13-25-20)27-23(16-19)21-8-4-6-14-26-21/h3-16H,2H2,1H3
InChIKey YTNCQXZFEYRBPU-UHFFFAOYSA-N
Mol Weight 381.44 g/mol
Molecular Formula C24H19N3O2
Exact Mass 381.147727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1reCtjsCV1M
Name 4'-(4-Ethoxycarbonylphenyl)-2,2':6',2''-terpyridine
Comments Computed using HOSE algorithm
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Exact Mass 381.147726862 u
Formula C24H19N3O2
InChI InChI=1S/C24H19N3O2/c1-2-29-24(28)18-11-9-17(10-12-18)19-15-22(20-7-3-5-13-25-20)27-23(16-19)21-8-4-6-14-26-21/h3-16H,2H2,1H3
InChIKey YTNCQXZFEYRBPU-UHFFFAOYSA-N
Molecular Weight 381.435 g/mol
SMILES C=1(C=CC=CN1)C=1C=C(C=C(N1)C=1C=CC=CN1)C=1C=CC(=CC1)C(=O)OCC