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3-(1H-Imidazol-1-yl)propanenitrile
SpectraBase Compound ID BoyBnlHltTO
InChI InChI=1S/C6H7N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1,4H2
InChIKey XEQIISVRKIKCLQ-UHFFFAOYSA-N
Mol Weight 121.14 g/mol
Molecular Formula C6H7N3
Exact Mass 121.063997 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rOn4dynWF9
Name 3-(1H-Imidazol-1-yl)propanenitrile
CAS Registry Number 23996-53-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H7N3
InChI InChI=1S/C6H7N3/c7-2-1-4-9-5-3-8-6-9/h3,5-6H,1,4H2
InChIKey XEQIISVRKIKCLQ-UHFFFAOYSA-N
Molecular Weight 121.143 g/mol
SMILES c1nc[n](c1)CCC#N
SPLASH splash10-0089-9200000000-80efee2e3d13f5fa152a
Synonyms 3-(1-Imidazolyl)propanenitrile 3-Imidazol-1-ylpropanenitrile 3-imidazol-1-ylpropionitrile
Wiley ID 1478960