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4-(1H-pyrrol-1-yl)benzonitrile

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-(1H-pyrrol-1-yl)benzonitrile
SpectraBase Compound ID 7jNVt1qecTy
InChI InChI=1S/C11H8N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H
InChIKey OKVSZRKKRHNDOL-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C11H8N2
Exact Mass 168.068748 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nP21NzmSg5
Name 4-(1H-pyrrol-1-yl)benzonitrile
Alternate Name(s) 4-(1-Pyrrolyl)benzonitrile 4-Pyrrol-1-ylbenzenecarbonitrile 4-Pyrrol-1-ylbenzonitrile Benzonitrile, 4-(pyrrol-1-yl)-
CAS Registry Number 23351-07-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8N2
InChI InChI=1S/C11H8N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H
InChIKey OKVSZRKKRHNDOL-UHFFFAOYSA-N
Molecular Weight 168.199 g/mol
SMILES c1cc(-[n]2cccc2)ccc1C#N
SPLASH splash10-014i-5900000000-a48070c81e088373b467
Wiley ID 1446890