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3-Indolecarbonitrile
SpectraBase Compound ID DKuBQtN1J9y
InChI InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey CHIFTAQVXHNVRW-UHFFFAOYSA-N
Mol Weight 142.16 g/mol
Molecular Formula C9H6N2
Exact Mass 142.053098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQHNriJptq7
Name 3-Indolecarbonitrile
CAS Registry Number 5457-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2
InChI InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey CHIFTAQVXHNVRW-UHFFFAOYSA-N
Molecular Weight 142.161 g/mol
SMILES [nH]1c2c(c(c1)C#N)cccc2
SPLASH splash10-00kf-1900000000-95d5d6cac720b6bb9240
Source of Spectrum SK-32-2303-4
Synonyms 1H-Indole-3-carbonitrile 3-Cyanoindole Indole-3-carbonitrile
Wiley ID 1548781