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(p-aminobenzoyl)acetonitrile
SpectraBase Compound ID 3DJNPeAeejc
InChI InChI=1S/C9H8N2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5,11H2
InChIKey BEWGVKVWWKCFHO-UHFFFAOYSA-N
Mol Weight 160.18 g/mol
Molecular Formula C9H8N2O
Exact Mass 160.063663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bl9AS8epQbs
Name 3-(4-Aminophenyl)-3-oxopropanenitrile
CAS Registry Number 59443-94-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N2O
InChI InChI=1S/C9H8N2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5,11H2
InChIKey BEWGVKVWWKCFHO-UHFFFAOYSA-N
Molecular Weight 160.176 g/mol
SMILES Nc1ccc(C(CC#N)=O)cc1
SPLASH splash10-006x-9300000000-14afb38c5dea4047d124
Source of Spectrum AD-0-2532-0
Synonyms (4-Aminobenzoyl)acetonitrile (p-Aminobenzoyl)acetonitrile 2-(4-Aminobenzoyl)acetonitrile 3-(4-aminophenyl)-3-keto-propionitrile 3-(4-aminophenyl)-3-oxidanylidene-propanenitrile Benzenepropanenitrile, 4-amino-.beta.-oxo- Propionitrile, 3-(4-aminophenyl)-3-oxo-
Wiley ID 1423056