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Phenyl picolinate
SpectraBase Compound ID G2xQHoSVxBf
InChI InChI=1S/C12H9NO2/c14-12(11-8-4-5-9-13-11)15-10-6-2-1-3-7-10/h1-9H
InChIKey JDCDHJSQZSHBJT-UHFFFAOYSA-N
Mol Weight 199.21 g/mol
Molecular Formula C12H9NO2
Exact Mass 199.063329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rknIg9DDgc
Name Phenyl picolinate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 199.063328532 u
Formula C12H9NO2
InChI InChI=1S/C12H9NO2/c14-12(11-8-4-5-9-13-11)15-10-6-2-1-3-7-10/h1-9H
InChIKey JDCDHJSQZSHBJT-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302328s
Molecular Weight 199.209 g/mol
Quality 328
Reported Formula C12H9NO2
SMILES C1=CC=C(C=C1)OC(C1=CC=CC=N1)=O
SPLASH splash10-0a4i-5900000000-d06c9d2202d2f5a079d5
Source of Spectrum JOC-78-1412-9a (DOI: 10.1021/jo302328s)
Thin-Layer Chromatography 0.23 (30% ethyl acetate/hexane)
Wiley ID 1911741