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2-(4-Chlorophenyl)-3-oxopropanenitrile
SpectraBase Compound ID 5t8ZtTmqHf6
InChI InChI=1S/C9H6ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H
InChIKey DAEXXSXAEMFPHQ-UHFFFAOYSA-N
Mol Weight 179.61 g/mol
Molecular Formula C9H6ClNO
Exact Mass 179.013792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52p5aDwZIkB
Name 2-(4-Chlorophenyl)-3-oxopropanenitrile
Alternate Name(s) Benzeneacetonitrile, 4-chloro-.alpha.-formyl- 2-(4-Chlorophenyl)-3-oxo-propanenitrile 2-(4-Chlorophenyl)-3-oxidanylidene-propanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClNO
InChI InChI=1S/C9H6ClNO/c10-9-3-1-7(2-4-9)8(5-11)6-12/h1-4,6,8H
InChIKey DAEXXSXAEMFPHQ-UHFFFAOYSA-N
Molecular Weight 179.606 g/mol
SMILES c1cc(C(C#N)C=O)ccc1Cl
SPLASH splash10-0udi-7900000000-b8654eba346ad5852f91
Source of Spectrum IY-2-4857-6
Wiley ID 1656799