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4-(5-Butyl-2-pyrimidinyl)benzonitrile

View entire compound with spectra: 2 MS (GC)

4-(5-Butyl-2-pyrimidinyl)benzonitrile
SpectraBase Compound ID FvlDiO6dxIm
InChI InChI=1S/C15H15N3/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,10-11H,2-4H2,1H3
InChIKey LGZVXDCVOZLFAW-UHFFFAOYSA-N
Mol Weight 237.31 g/mol
Molecular Formula C15H15N3
Exact Mass 237.126597 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4oS0lhwZsbQ
Name 4-(5-Butyl-2-pyrimidinyl)benzonitrile
Alternate Name(s) 4-(5-butylpyrimidin-2-yl)benzenecarbonitrile 4-(5-butylpyrimidin-2-yl)benzonitrile Benzonitrile, 4-(5-butyl-2-pyrimidinyl)-
CAS Registry Number 59855-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15N3
InChI InChI=1S/C15H15N3/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,10-11H,2-4H2,1H3
InChIKey LGZVXDCVOZLFAW-UHFFFAOYSA-N
Molecular Weight 237.306 g/mol
SMILES C(#N)c1ccc(cc1)-c1ncc(cn1)CCCC
SPLASH splash10-000f-4920000000-35b6dffee01e2ad4f9b2
Wiley ID 1475840