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5,5'-Bis[2-(2,3-dihydroxyphenyl)ethyl]-2,2'-bipyridine
SpectraBase Compound ID 6St5wAyKXef
InChI InChI=1S/C26H24N2O4/c29-23-5-1-3-19(25(23)31)11-7-17-9-13-21(27-15-17)22-14-10-18(16-28-22)8-12-20-4-2-6-24(30)26(20)32/h1-6,9-10,13-16,29-32H,7-8,11-12H2
InChIKey GDYHZJNLTURLAV-UHFFFAOYSA-N
Mol Weight 428.49 g/mol
Molecular Formula C26H24N2O4
Exact Mass 428.173607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JNemIU3DmXF
Name 5,5'-bis[2-(2,3-Dihydroxyphenyl)ethyl]-2,2'-bipyridine
Comments Computed using HOSE algorithm
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Exact Mass 428.173607257 u
Formula C26H24N2O4
InChI InChI=1S/C26H24N2O4/c29-23-5-1-3-19(25(23)31)11-7-17-9-13-21(27-15-17)22-14-10-18(16-28-22)8-12-20-4-2-6-24(30)26(20)32/h1-6,9-10,13-16,29-32H,7-8,11-12H2
InChIKey GDYHZJNLTURLAV-UHFFFAOYSA-N
Molecular Weight 428.488 g/mol
SMILES C1(=NC=C(C=C1)CCC=1C(=C(O)C=CC1)O)C1=NC=C(C=C1)CCC=1C(=C(O)C=CC1)O