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2-(pyridine-3-carbonyl)benzoic acid
SpectraBase Compound ID DiWYLn8UgOv
InChI InChI=1S/C13H9NO3/c15-12(9-4-3-7-14-8-9)10-5-1-2-6-11(10)13(16)17/h1-8H,(H,16,17)
InChIKey NGBNHFPEOOVGQM-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C13H9NO3
Exact Mass 227.058243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EI0dKFfZqIS
Name 2-(pyridine-3-carbonyl)benzoic acid
Alternate Name(s) 2-nicotinoylbenzoic acid 2-pyridin-3-ylcarbonylbenzoic acid 2-[oxo(3-pyridinyl)methyl]benzoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C13H9NO3
InChI InChI=1S/C13H9NO3/c15-12(9-4-3-7-14-8-9)10-5-1-2-6-11(10)13(16)17/h1-8H,(H,16,17)
InChIKey NGBNHFPEOOVGQM-UHFFFAOYSA-N
Molecular Weight 227.219 g/mol
SMILES OC(c1c(cccc1)C(=O)c1cnccc1)=O
SPLASH splash10-0a4i-0900000000-06f26fe47f835e102b27
Source of Spectrum E1-36-4058-16
Wiley ID 1574858