Nitromethane
Compound with spectra: 46 NMR, 13 FTIR, 3 Raman, 10 MS (GC), and 2 Near IR
| SpectraBase Compound ID | ShTHqneqyR |
|---|---|
| InChI | InChI=1S/CH3NO2/c1-2(3)4/h1H3 |
| InChIKey | LYGJENNIWJXYER-UHFFFAOYSA-N |
| Mol Weight | 61.04 g/mol |
| Molecular Formula | CH3NO2 |
| Exact Mass | 61.016378 g/mol |
| Copyright | Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB Manufacturing Chemists, Norwood, Ohio |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CCl4 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 230731 |
| Solvent | CDCl3 |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Sample | Merck-Schuchardt Hohenbrunn |
| Technique | Cell |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Sample | Merck |
| Technique | Layer between KBr |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SCHOLL |
| Technique | LIQUID, ~15 MICROMETERS |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB MANUFACTURING CHEMISTS, NORWOOD, OHIO |
| Technique | NEAT |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Commercial Solvents Corporation, New York, New York |
| Technique | BETWEEN SALTS |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Commercial Solvents Corporation, New York, New York |
| Technique | BETWEEN SALTS |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Commercial Solvents Corporation, New York, New York |
| Technique | CAPILLARY CELL: NEAT |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Buback, University of Goettingen, Germany |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. Buback, University of Goettingen, Germany |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 230731 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 230731 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| Copyright | Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-41-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | HE-1982-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | EK-1999-5-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | PR-1556-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | SRH-2022-4288-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | IC-7-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | IC-7-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-47-0 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | MCB Manufacturing Chemists, Norwood, Ohio |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCL3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Mixture |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Mixture |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Mixture |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Mixture |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Neat liquid |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Mixture |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | NEAT |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | ACETONE-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C6D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3CN |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO-D6 |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 230731 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2003-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc. |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 108170 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 230731 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | NEAT |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich |
| Catalog Number | 230731 |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich |
| Catalog Number | 360554 |
- Nitrocarbol
- NITROMETHAN
- Methane,nitro
- Nitromethane, p.a.
- Nitrometan
- CH3NO2
- CCRIS 1205
- HSDB 106
- NSC 428
- EINECS 200-876-6
- UN1261
- AI3-00111
| Title | Journal or Book | Year |
|---|---|---|
| 1H and13C NMR data to aid the identification and quantification of residual solvents by NMR spectroscopy | Magnetic Resonance in Chemistry | 2005 |
| NMR Chemical Shifts of Common Laboratory Solvents as Trace Impurities | The Journal of Organic Chemistry | 1997 |
| Isotope effects in the nmr spectra of nitromethane | Journal of Magnetic Resonance (1969) | 1990 |
| Deuterium-isotopieeffekte auf die 13C-chemischen verschiebungen und kohlenstoff-deuterium kopplungskonstanten in deuterierten verbindungen | Tetrahedron | 1973 |
| Semi-empirical chemical shift calculations: nitrogen and oxygen in the lower nitroalkanes, and the nitrate, nitronium, and nitrite ions | Journal of Magnetic Resonance (1969) | 1973 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
KnowItAll Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.
Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich
Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.
Sigma-Aldrich Library of ATR-IR Spectra
Author: Sigma Aldrich
The Sigma-Aldrich Library of ATR-IR Spectra is a comprehensive collection of ATR-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
Sigma-Aldrich Library of FT-IR Spectra
Author: Sigma Aldrich
The Sigma-Aldrich Library of FT-IR Spectra is a comprehensive collection of FT-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
Mass Spectra of Designer Drugs 2025
Author: Peter Rösner
This library enables fast and reliable identification of the latest illegal designer drugs. It is updated annually Learn more.
Sigma Aldrich NMR Library
Author: Sigma Aldrich
The Sigma-Aldrich Library of NMR Spectra is a comprehensive collection of NMR spectra for organic compounds sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
KnowItAll GC-MS 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.
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.
Wiley Registry of Mass Spectral Data 2026
Author: Wiley
The foundation library for any analytical laboratory running mass spectrometry, the Wiley Registry provides the broadest coverage available in any mass spectral library Learn more.