2-ACETYLBENZENENITRILE
Compound with spectra: 3 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 5wlBcLh76ZI |
|---|---|
| InChI | InChI=1S/C9H7NO/c1-7(11)9-5-3-2-4-8(9)6-10/h2-5H,1H3 |
| InChIKey | UZSGWJQJDLCCFN-UHFFFAOYSA-N |
| Mol Weight | 145.16 g/mol |
| Molecular Formula | C9H7NO |
| Exact Mass | 145.052764 g/mol |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | Dioxane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KC-0-3111-7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- 4-CYANOACETOPHENONE;4-ACETYLBENZONITRILE
- 2-Acetylbenzonitrile
- 4-Cyano-acetophenone
| Title | Journal or Book | Year |
|---|---|---|
| Improved13C NMR Shift Prediction Program for Polysubstituted Benzenes and Sterically Defined Cyclohexane Derivatives | Magnetic Resonance in Chemistry | 1996 |
| Oxygen-17 NMR studies of substituent and hydrogen-bonding effects in substituted acetophenones and benzaldehydes | Journal of the American Chemical Society | 1981 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll Mass Spectral Library
Author: Wiley
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