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2-Fluoro-4-(1-methylpiperidin-4-yl)benzonitrile
SpectraBase Compound ID 3MfQkWGThVi
InChI InChI=1S/C13H15FN2/c1-16-6-4-10(5-7-16)11-2-3-12(9-15)13(14)8-11/h2-3,8,10H,4-7H2,1H3
InChIKey MSRMSDXZMDJTKK-UHFFFAOYSA-N
Mol Weight 218.28 g/mol
Molecular Formula C13H15FN2
Exact Mass 218.121927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDna40FpzNH
Name 2-Fluoro-4-(1-methylpiperidin-4-yl)benzonitrile
Alternate Name(s) 2-Fluoro-4-(1-methyl-4-piperidinyl)benzonitrile 2-Fluoranyl-4-(1-methylpiperidin-4-yl)benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15FN2
InChI InChI=1S/C13H15FN2/c1-16-6-4-10(5-7-16)11-2-3-12(9-15)13(14)8-11/h2-3,8,10H,4-7H2,1H3
InChIKey MSRMSDXZMDJTKK-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo201630e
Molecular Weight 218.275 g/mol
SMILES c1(cc(c(cc1)C#N)F)C1CCN(CC1)C
SPLASH splash10-014i-6090000000-880fc8054b0293339964
Source of Spectrum J-76-8902-7b
Wiley ID 1746910