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4-Methoxy-3-(pyridin-2-ylmethylamino)benzoic acid
SpectraBase Compound ID 6lt26Te4B7h
InChI InChI=1S/C14H14N2O3/c1-19-13-6-5-10(14(17)18)8-12(13)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKey LSCAALPLWITLJT-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H14N2O3
Exact Mass 258.100442 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HooGjhITTes
Name 4-Methoxy-3-[(pyridin-2-ylmethyl)amino]benzoic acid
Comments Computed using HOSE algorithm
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Exact Mass 258.100442316 u
Formula C14H14N2O3
InChI InChI=1S/C14H14N2O3/c1-19-13-6-5-10(14(17)18)8-12(13)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKey LSCAALPLWITLJT-UHFFFAOYSA-N
SMILES C(C=1C=C(NCC2=NC=CC=C2)C(OC)=CC1)(=O)O