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2H-benz[f]isoindole-1-carbonitrile, 2-butyl-
SpectraBase Compound ID Cdp0SiWs77H
InChI InChI=1S/C17H16N2/c1-2-3-8-19-12-15-9-13-6-4-5-7-14(13)10-16(15)17(19)11-18/h4-7,9-10,12H,2-3,8H2,1H3
InChIKey ZHZXWCBOVFWAMD-UHFFFAOYSA-N
Mol Weight 248.33 g/mol
Molecular Formula C17H16N2
Exact Mass 248.131349 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B36auDng1zM
Name 2H-benz[f]isoindole-1-carbonitrile, 2-butyl-
Alternate Name(s) 2-Butyl-2H-benzo[f]isoindole-1-carbonitrile
CAS Registry Number 103836-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16N2
InChI InChI=1S/C17H16N2/c1-2-3-8-19-12-15-9-13-6-4-5-7-14(13)10-16(15)17(19)11-18/h4-7,9-10,12H,2-3,8H2,1H3
InChIKey ZHZXWCBOVFWAMD-UHFFFAOYSA-N
Molecular Weight 248.329 g/mol
SMILES c12c(c[n](c2C#N)CCCC)cc2c(c1)cccc2
SPLASH splash10-052e-0790000000-5c97dae986c42dfdd399
Source of Spectrum J-51-3981-7
Wiley ID 1251750