3-Nitrobenzaldehyde
Compound with spectra: 22 NMR, 8 FTIR, 2 Raman, 3 UV-Vis, and 12 MS (GC)
| SpectraBase Compound ID | 3SwL9LyePuf |
|---|---|
| InChI | InChI=1S/C7H5NO3/c9-5-6-2-1-3-7(4-6)8(10)11/h1-5H |
| InChIKey | ZETIVVHRRQLWFW-UHFFFAOYSA-N |
| Mol Weight | 151.12 g/mol |
| Molecular Formula | C7H5NO3 |
| Exact Mass | 151.026943 g/mol |
| Copyright | Copyright © 1989, 1990-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Sample | Merck-Schuchardt Hohenbrunn |
| Technique | KBr-Pellet |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Allied Corporation |
| Technique | KBr WAFER |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | The Matheson Company, Inc., East Rutherford, New Jersey |
| Technique | CAPILLARY CELL: MELT |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | N10845 |
| Technique | Mull |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |
| 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 | SRH-2022-1659-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AA-0-898-2 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | AD-0-2532-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | W5-0-0-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | JZ-1992-1266-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | OS-5-370-0 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | F9-1991-429-0 |
| 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 | 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 | 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 | 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 | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|
| 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 | N10845 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | The Matheson Company, Inc., East Rutherford, New Jersey |
| Solvent | CDCl3 |
| 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 | N10845 |
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DMSO |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | Unknown |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3CN |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH3CN |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | DIOXANE |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Solvent | Dioxane |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Spectrochem Pvt. Ltd., India |
| Source of Spectrum | Bio-Rad Laboratories |
| Catalog Number | 11444 |
| Copyright | Copyright © 2017-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | N10845 |
| Copyright | Copyright © 2014-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Spectrochem Pvt. Ltd. |
| Source of Spectrum | Bio-Rad Laboratories, Inc. |
| Catalog Number | 11444 |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | N10845 |
| Copyright | Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Water |
| Copyright | Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Water |
| Copyright | Copyright © 2008-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Water |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| 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 | N10845 |
- m-Nitrobenzaldehyde
- ZETIVVHRRQLWFW-UHFFFAOYSA-N
- Benzaldehyde, 3-nitro-
- meta-Nitrobenzaldehyde
- Benzaldehyde, 4-nitro-
- 3-Formylnitrobenzene
- 5-Nitrobenzaldehyde
- Benzaldehyde, m-nitro-
- CCRIS 1784
- EINECS 202-772-6
- NSC 5504
- AI3-08906
4-Nitro-N-(n-propyl)benzylamine hydrochloride
(4-Nitrobenzyl)trimethylammonium chloride
4-Nitrobenzyl azide
Benzene, 1-(3-chloro-1-propenyl)-4-nitro-
1-Butyl-4-nitrobenzene
1-(4-Nitrophenyl)ethanone
1-(2-Methylpropyl)-4-nitrobenzene
Benzaldehyde, 3-nitro-, oxime, (Z)-
1-(but-3-en-1-yn-1-yl)-4-nitrobenzene
3-(4-Nitrophenyl)-1-propanol
| Title | Journal or Book | Year |
|---|---|---|
| A study of the17O carbonyl chemical shifts in substituted benzaldehydes | Magnetic Resonance in Chemistry | 2004 |
| A New Approach to the Synthesis of 2-Nitrobenzaldehyde. Reactivity and Molecular Structure Studies | Monatshefte für Chemie/Chemical Monthly | 2002 |
| Substituent effects on nitrogen-15 and oxygen-17 chemical shifts in nitrobenzenes: correlations with electron densities | The Journal of Organic Chemistry | 1983 |
| A reassessment of nitrobenzene valence bond structures | Journal of the American Chemical Society | 1982 |
| 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 IR Spectral Library
Author: Wiley
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KnowItAll Raman Spectral Library
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KnowItAll UV-Vis Spectral Library
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Wiley's KnowItAll UV-Vis Spectral Library offers access to the world's largest collection of high-quality UV-Vis Sadtler spectra. Learn more.
Sigma-Aldrich Library of Raman Spectra
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Sigma-Aldrich Library of ATR-IR Spectra
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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
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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
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Sigma Aldrich NMR Library
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