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4-(1-Methylisoquinolin-3-yl)benzonitrile

View entire compound with spectra: 1 MS (GC)

4-(1-Methylisoquinolin-3-yl)benzonitrile
SpectraBase Compound ID 1aUMjDKbrEZ
InChI InChI=1S/C17H12N2/c1-12-16-5-3-2-4-15(16)10-17(19-12)14-8-6-13(11-18)7-9-14/h2-10H,1H3
InChIKey OIZYVEKDLYDRGG-UHFFFAOYSA-N
Mol Weight 244.3 g/mol
Molecular Formula C17H12N2
Exact Mass 244.100048 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1smwbdy5O03
Name 4-(1-Methylisoquinolin-3-yl)benzonitrile
Alternate Name(s) 4-(1-Methyl-3-isoquinolinyl)benzonitrile 4-(1-Methylisoquinolin-3-yl)benzenecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2
InChI InChI=1S/C17H12N2/c1-12-16-5-3-2-4-15(16)10-17(19-12)14-8-6-13(11-18)7-9-14/h2-10H,1H3
InChIKey OIZYVEKDLYDRGG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201101009
Molecular Weight 244.297 g/mol
SMILES c1cc2c(nc(-c3ccc(cc3)C#N)cc2cc1)C
SPLASH splash10-0006-0190000000-772b17eb255d31bd27dc
Source of Spectrum ASC-354-1890/SM14-18
Wiley ID 1762630