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2-Fluoro-5-[(3'-oxo-2'-benzofuran-1'-ylidene)methyl]benzonitrile
SpectraBase Compound ID HmPgTjXlLy4
InChI InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H
InChIKey MMPHWTMMVPBHRZ-UHFFFAOYSA-N
Mol Weight 265.24 g/mol
Molecular Formula C16H8FNO2
Exact Mass 265.053907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDvGiz2u3Az
Name 2-Fluoro-5-[(3'-oxo-2'-benzofuran-1'-ylidene)methyl]benzonitrile
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8FNO2
InChI InChI=1S/C16H8FNO2/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(19)20-15/h1-8H
InChIKey MMPHWTMMVPBHRZ-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.5b01324
Molecular Weight 265.243 g/mol
SMILES c1cc2c(cc1)C(OC2=O)=Cc1cc(c(cc1)F)C#N
SPLASH splash10-066r-1190000000-9a446689ec0deeb45a0a
Sample Comments major
Source of Spectrum AF-58-SM5-15
Wiley ID 1867507