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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 A1LSwF6EQ92
Name 3-Indolecarbonitrile
Alternate Name(s) 1H-Indole-3-carbonitrile 3-Cyanoindole Indole-3-carbonitrile
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
Literature Reference DOI 10.1002/anie.201412256
Molecular Weight 142.161 g/mol
SMILES [nH]1c2ccccc2c(c1)C#N
SPLASH splash10-0006-3900000000-0d3b4fb2ece3e406ee5e
Source of Spectrum ACI-54-4241/SMS17-3m
Wiley ID 1760531