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5-[4-(2,3-dihydroxyphenyl)butyl]-5'-methyl-2,2'-bipyridine
SpectraBase Compound ID FKnaM7ObWcD
InChI InChI=1S/C21H22N2O2/c1-15-9-11-18(22-13-15)19-12-10-16(14-23-19)5-2-3-6-17-7-4-8-20(24)21(17)25/h4,7-14,24-25H,2-3,5-6H2,1H3
InChIKey BRJFQCYRMZHNFZ-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEXkOOebccz
Name 5-[4-(2,3-dihydroxyphenyl)butyl]-5'-methyl-2,2'-bipyridine
Alternate Name(s) 3-{4-[6-(5-methylpyridin-2-yl)pyridin-3-yl]butyl}benzene-1,2-diol
Comments Less than 3 mono-isotopic peaks
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Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-15-9-11-18(22-13-15)19-12-10-16(14-23-19)5-2-3-6-17-7-4-8-20(24)21(17)25/h4,7-14,24-25H,2-3,5-6H2,1H3
InChIKey BRJFQCYRMZHNFZ-UHFFFAOYSA-N
Molecular Weight 334.419 g/mol
SMILES Oc1cccc(c1O)CCCCc1ccc(nc1)-c1ncc(cc1)C
SPLASH splash10-001i-0908000000-a98bf3f75aec8df5de09
Source of Spectrum SO-0-960-19
Wiley ID 874733