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5-Fluoro-3-(3-pyridyl)phthalide
SpectraBase Compound ID 3B93lrwg5Vp
InChI InChI=1S/C13H8FNO2/c14-9-3-4-10-11(6-9)12(17-13(10)16)8-2-1-5-15-7-8/h1-7,12H
InChIKey NEKFACOEWRWUOL-UHFFFAOYSA-N
Mol Weight 229.21 g/mol
Molecular Formula C13H8FNO2
Exact Mass 229.053907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJneMsvUmq4
Name 5-Fluoro-3-(3-pyridyl)phthalide
Alternate Name(s) 5-fluoranyl-3-pyridin-3-yl-3H-2-benzofuran-1-one 5-fluoro-3-(3-pyridinyl)-3H-isobenzofuran-1-one 5-fluoro-3-(3-pyridyl)-3H-isobenzofuran-1-one 5-fluoro-3-pyridin-3-yl-3H-2-benzofuran-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H8FNO2
InChI InChI=1S/C13H8FNO2/c14-9-3-4-10-11(6-9)12(17-13(10)16)8-2-1-5-15-7-8/h1-7,12H
InChIKey NEKFACOEWRWUOL-UHFFFAOYSA-N
Molecular Weight 229.210 g/mol
SMILES C1(=O)OC(c2cc(ccc12)F)c1cnccc1
SPLASH splash10-00di-0910000000-d2828e35e9ebda6124f4
Source of Spectrum E1-42-1852-14
Wiley ID 1552758