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Methyl 3-cyano-4-(pyridin-2-yl)benzoate
SpectraBase Compound ID 6kO2wm8pWPA
InChI InChI=1S/C14H10N2O2/c1-18-14(17)10-5-6-12(11(8-10)9-15)13-4-2-3-7-16-13/h2-8H,1H3
InChIKey KAYJRMZLAQJYOH-UHFFFAOYSA-N
Mol Weight 238.25 g/mol
Molecular Formula C14H10N2O2
Exact Mass 238.074228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ljEKjpfyS
Name Methyl 3-cyano-4-(pyridin-2-yl)benzoate
Alternate Name(s) 3-Cyano-4-(2-pyridinyl)benzoic acid methyl ester Methyl 3-cyano-4-pyridin-2-ylbenzoate Methyl 3-cyano-4-(2-pyridyl)benzoate Methyl 3-cyano-4-pyridin-2-yl-benzoate
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Formula C14H10N2O2
InChI InChI=1S/C14H10N2O2/c1-18-14(17)10-5-6-12(11(8-10)9-15)13-4-2-3-7-16-13/h2-8H,1H3
InChIKey KAYJRMZLAQJYOH-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201409247
Molecular Weight 238.246 g/mol
SMILES c1ccnc(c1)-c1c(cc(cc1)C(OC)=O)C#N
SPLASH splash10-0a70-0590000000-e68812419d7765f63329
Source of Spectrum ACI-54-3635/SMS6-3e
Wiley ID 1760371