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3-METHYLISOQUINALDONITRILE
SpectraBase Compound ID FoKRJ5Mb31f
InChI InChI=1S/C11H8N2/c1-8-6-9-4-2-3-5-10(9)11(7-12)13-8/h2-6H,1H3
InChIKey WYQGDQMTXPFAFX-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C11H8N2
Exact Mass 168.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K42340yTUzE
Name 1-Isoquinolinecarbonitrile, 3-methyl-
Alternate Name(s) 3-Methyl-1-isoquinolinecarbonitrile 3-Methylisoquinoline-1-carbonitrile Isoquinaldonitrile, 3-methyl-
CAS Registry Number 22381-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2
InChI InChI=1S/C11H8N2/c1-8-6-9-4-2-3-5-10(9)11(7-12)13-8/h2-6H,1H3
InChIKey WYQGDQMTXPFAFX-UHFFFAOYSA-N
Molecular Weight 168.199 g/mol
SMILES Cc1cc2ccccc2c(C#N)n1
SPLASH splash10-014l-3900000000-7333be8bdf184cf554ce
Source of Spectrum T-68-2084-0
Wiley ID 15073