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isonicotinic acid, cyanomethyl ester
SpectraBase Compound ID 47iEXilClqb
InChI InChI=1S/C8H6N2O2/c9-3-6-12-8(11)7-1-4-10-5-2-7/h1-2,4-5H,6H2
InChIKey GASFPBGWFOIGLB-UHFFFAOYSA-N
Mol Weight 162.15 g/mol
Molecular Formula C8H6N2O2
Exact Mass 162.042927 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 203lhRNv5ni
Name isonicotinic acid, cyanomethyl ester
Source of Sample S. Grudzinski, Academy of Medicine, Lodz, Poland
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Formula C8H6N2O2
InChI InChI=1S/C8H6N2O2/c9-3-6-12-8(11)7-1-4-10-5-2-7/h1-2,4-5H,6H2
InChIKey GASFPBGWFOIGLB-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference SOC. SCI. LODZ. ACTA CHIMICA 8, 105(1962)
Sadtler NMR Number 5923M
Solvent CDCl3