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3-[4-(Dimethylamino)-phenyl]-3-oxo-propanenitrile

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

3-[4-(Dimethylamino)-phenyl]-3-oxo-propanenitrile
SpectraBase Compound ID L8c7633qFMl
InChI InChI=1S/C11H12N2O/c1-13(2)10-5-3-9(4-6-10)11(14)7-8-12/h3-6H,7H2,1-2H3
InChIKey DUIOSJLLWYJQAP-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C11H12N2O
Exact Mass 188.094963 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID C7PW1QG9q4i
Name 3-[4-(Dimethylamino)-phenyl]-3-oxo-propanenitrile
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 188.094963013 u
Formula C11H12N2O
InChI InChI=1S/C11H12N2O/c1-13(2)10-5-3-9(4-6-10)11(14)7-8-12/h3-6H,7H2,1-2H3
InChIKey DUIOSJLLWYJQAP-UHFFFAOYSA-N
Molecular Weight 188.230 g/mol
SMILES C(#N)CC(=O)C1=CC=C(C=C1)N(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850306