PHENYLNITROMETHANE
Compound with spectra: 7 NMR, and 3 MS (GC)
| SpectraBase Compound ID | FcF5Sg45o2H |
|---|---|
| InChI | InChI=1S/C7H7NO2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | VLZLOWPYUQHHCG-UHFFFAOYSA-N |
| Mol Weight | 137.14 g/mol |
| Molecular Formula | C7H7NO2 |
| Exact Mass | 137.047678 g/mol |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | M. J. Shapiro J. Org. Chem. 41, 3197(1976) |
| Solvent | Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Jeol FX-60 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Dimethyl sulfoxide-d6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | TC |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CCl4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AD-0-3635-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | N4-1968-73-91 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | J-53-2873-2 |
- ALPHA-NITROTOLUOL
- alpha-NITROTOLUENE
- TOLUENE, A-NITRO-,
- Benzene, (nitromethyl)-
| Title | Journal or Book | Year |
|---|---|---|
| The Journal of Organic Chemistry | 1980 | |
| 13C substituent effects in monosubstituted benzenes | Organic Magnetic Resonance | 1979 |
| .alpha.-Substituted toluenes and 3-substituted propenes. Evaluation of substituent effects via carbon-13 nuclear magnetic resonance spectroscopy | The Journal of Organic Chemistry | 1976 |
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
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.