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3-keto-2-propyl-isoquinoline-4-carbonitrile
SpectraBase Compound ID 7ImHm1bFO0b
InChI InChI=1S/C13H12N2O/c1-2-7-15-9-10-5-3-4-6-11(10)12(8-14)13(15)16/h3-6,9H,2,7H2,1H3
InChIKey RGVZQMHOWUQDKH-UHFFFAOYSA-N
Mol Weight 212.25 g/mol
Molecular Formula C13H12N2O
Exact Mass 212.094963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HtqpI3ooEVM
Name 3-keto-2-propyl-isoquinoline-4-carbonitrile
Alternate Name(s) 3-Oxidanylidene-2-propyl-isoquinoline-4-carbonitrile 3-Oxo-2-propyl-4-isoquinolinecarbonitrile 3-Oxo-2-propyl-isoquinoline-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O
InChI InChI=1S/C13H12N2O/c1-2-7-15-9-10-5-3-4-6-11(10)12(8-14)13(15)16/h3-6,9H,2,7H2,1H3
InChIKey RGVZQMHOWUQDKH-UHFFFAOYSA-N
Molecular Weight 212.252 g/mol
SMILES C=1(C(N(CCC)C=C2C1C=CC=C2)=O)C#N
SPLASH splash10-00di-0930000000-0765268c05c178b4167b
Source of Spectrum J-59-6118-4
Wiley ID 1211745