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2-(1H-Indol-3-yl)pentanenitrile
SpectraBase Compound ID KU4nlOou6xg
InChI InChI=1S/C13H14N2/c1-2-5-10(8-14)12-9-15-13-7-4-3-6-11(12)13/h3-4,6-7,9-10,15H,2,5H2,1H3
InChIKey AOTSSGRUTUMRFM-UHFFFAOYSA-N
Mol Weight 198.27 g/mol
Molecular Formula C13H14N2
Exact Mass 198.115698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwXAbdM8mzp
Name 2-(1H-Indol-3-yl)pentanenitrile
Appearance Colorless liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2
InChI InChI=1S/C13H14N2/c1-2-5-10(8-14)12-9-15-13-7-4-3-6-11(12)13/h3-4,6-7,9-10,15H,2,5H2,1H3
InChIKey AOTSSGRUTUMRFM-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP2010
Ionization Type EI
Literature Reference DOI 10.1021/acs.joc.1c00808
Molecular Weight 198.269 g/mol
Reported Formula C13H14N2
SMILES [nH]1cc(c2c1cccc2)C(C#N)CCC
SPLASH splash10-0a4i-0900000000-c26f1fb5c5ff4bf637d4
Source of Spectrum JOC-86-8399-10as
Wiley ID 1867807