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3-Chlorobenzoylacetonitrile
SpectraBase Compound ID 9Z5NJu1U92s
InChI InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChIKey IUDFNNHFARLIPF-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 6lmXEJMfZCF
Name 3-(3-Chlorophenyl)-3-keto-propionitrile
Alternate Name(s) 3-(3-Chlorophenyl)-3-oxidanylidene-propanenitrile 3-(3-Chlorophenyl)-3-oxo-propanenitrile
CAS Registry Number 21667-62-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClNO
InChI InChI=1S/C9H6ClNO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChIKey IUDFNNHFARLIPF-UHFFFAOYSA-N
Molecular Weight 179.606 g/mol
SMILES C(#N)CC(c1cc(Cl)ccc1)=O
SPLASH splash10-000i-0900000000-b9e7aead71b3b74d0954
Source of Spectrum OP-33-352-1
Wiley ID 851045