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5-Fluoro-1-isocyanato-2-(phenylethynyl)benzene
SpectraBase Compound ID CKQsgk5hXAD
InChI InChI=1S/C15H8FNO/c16-14-9-8-13(15(10-14)17-11-18)7-6-12-4-2-1-3-5-12/h1-5,8-10H
InChIKey WBDFVKFRPTXQIU-UHFFFAOYSA-N
Mol Weight 237.23 g/mol
Molecular Formula C15H8FNO
Exact Mass 237.058992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AopAt6RUpio
Name 5-Fluoro-1-isocyanato-2-(phenylethynyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8FNO
InChI InChI=1S/C15H8FNO/c16-14-9-8-13(15(10-14)17-11-18)7-6-12-4-2-1-3-5-12/h1-5,8-10H
InChIKey WBDFVKFRPTXQIU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol9014877
Molecular Weight 237.233 g/mol
SMILES c1cc(c(N=C=O)cc1F)C#Cc1ccccc1
SPLASH splash10-000i-0090000000-7b97a98f9325cb469e36
Source of Spectrum A1-11-4262/SMS11-1c
Synonyms 4-Fluoro-2-isocyanato-1-(phenylethynyl)benzene
Wiley ID 1757151