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4-Cinnolinyl(phenyl)acetonitrile
SpectraBase Compound ID LIWRux7HEtU
InChI InChI=1S/C16H11N3/c17-10-14(12-6-2-1-3-7-12)15-11-18-19-16-9-5-4-8-13(15)16/h1-9,11,14H
InChIKey KKPKXSPEZGJGFC-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C16H11N3
Exact Mass 245.095297 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52zVYQ9yumh
Name 4-Cinnolinyl(phenyl)acetonitrile
Alternate Name(s) 2-(4-cinnolinyl)-2-phenylacetonitrile 2-cinnolin-4-yl-2-phenylacetonitrile 2-cinnolin-4-yl-2-phenyl-ethanenitrile
CAS Registry Number 18592-05-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3
InChI InChI=1S/C16H11N3/c17-10-14(12-6-2-1-3-7-12)15-11-18-19-16-9-5-4-8-13(15)16/h1-9,11,14H
InChIKey KKPKXSPEZGJGFC-UHFFFAOYSA-N
Molecular Weight 245.285 g/mol
SMILES c12c(cccc2)nncc1C(c1ccccc1)C#N
SPLASH splash10-0002-1290000000-32db69bba6e6cfb48e5c
Source of Spectrum NP-6-8159-0
Wiley ID 1106027