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p-Toluoylacetonitrile
SpectraBase Compound ID 6ct0NNEMocm
InChI InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3
InChIKey AIECDYDQPCANJK-UHFFFAOYSA-N
Mol Weight 159.19 g/mol
Molecular Formula C10H9NO
Exact Mass 159.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKDStftFLTT
Name 2-(p-Methylbenzoyl)-acetonitrile
Alternate Name(s) 3-(4-Methylphenyl)-3-oxopropanenitrile 3-Oxo-3-(p-tolyl)propanenitrile 3-(4-Methylphenyl)-3-oxidanylidene-propanenitrile
CAS Registry Number 7391-28-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO
InChI InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10(12)6-7-11/h2-5H,6H2,1H3
InChIKey AIECDYDQPCANJK-UHFFFAOYSA-N
Molecular Weight 159.188 g/mol
SMILES C(#N)CC(c1ccc(cc1)C)=O
SPLASH splash10-0a4s-0900000000-169d7ec6a043fd71f8ce
Source of Spectrum OP-33-352-1
Wiley ID 851042