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2-Methylphenyl picolinate
SpectraBase Compound ID DwKvEcORNdB
InChI InChI=1S/C13H11NO2/c1-10-6-2-3-8-12(10)16-13(15)11-7-4-5-9-14-11/h2-9H,1H3
InChIKey YGQBRYLRJDOPSH-UHFFFAOYSA-N
Mol Weight 213.24 g/mol
Molecular Formula C13H11NO2
Exact Mass 213.078979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45h7BF8PnhT
Name 2-Methylphenyl picolinate
Appearance White solid
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Exact Mass 213.078978596 u
Formula C13H11NO2
InChI InChI=1S/C13H11NO2/c1-10-6-2-3-8-12(10)16-13(15)11-7-4-5-9-14-11/h2-9H,1H3
InChIKey YGQBRYLRJDOPSH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302328s
Molecular Weight 213.236 g/mol
Quality 305
Reported Formula C13H11NO2
SMILES C1=CC=C(C(=C1)C)OC(C1=CC=CC=N1)=O
SPLASH splash10-016r-5900000000-4495a1a5529776ec00e9
Source of Spectrum JOC-78-1412-9b (DOI: 10.1021/jo302328s)
Thin-Layer Chromatography 0.21 (30% ethyl acetate/hexane)
Wiley ID 1911742