nitroaromatic compound, likely a nitrobenzaldehyde or dinitrobenzene derivative
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nitroaromatic compound, likely a nitrobenzaldehyde or dinitrobenzene derivative
Sample & Measurement Parameters
Identification Result
71%The main component may be a nitroaromatic compound, likely a nitrobenzaldehyde or dinitrobenzene derivative. The infrared spectrum exhibits characteristic symmetric and asymmetric nitro group stretches near 1351 and 1550 cm⁻¹, along with aromatic ring vibrations at 1613 and 1550 cm⁻¹. A prominent band at 1724 cm⁻¹ indicates a carbonyl group consistent with an aldehyde or ketone functionality. The exact substitution pattern is not uniquely determined from this spectrum alone; additional analysis by mass spectrometry or NMR would aid in distinguishing the specific isomer
Library Comparison
Library Search Results — Top 15 Candidates
| Rank | Match % | Compound | Formula / SMILES | Library Preview | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
Peak Analysis
★ = Literature-supported assignment| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Confidence | |
|---|---|---|---|---|---|---|
| 1 | ★ | 1724 | 1.00 | The band at 1724 cm-1 is assigned to carbonyl (C=O) vibration. | [7] | High confidence |
| 2 | · | 1351 | 0.72 | - | - | - |
| 3 | · | 1550 | 0.35 | - | - | - |
| 4 | · | 1199 | 0.33 | - | - | - |
| 5 | · | 747 | 0.32 | - | - | - |
| 6 | ★ | 862 | 0.25 | The band at 862 cm-1 is assigned to aromatic ring vibration. | [4] | High confidence |
| 7 | ★ | 830 | 0.24 | The band at 830 cm-1 is assigned to aromatic ring vibration. | [3] | High confidence |
| 8 | ★ | 724 | 0.22 | The band at 724 cm-1 is assigned to aromatic C-H wagging. | [2] | High confidence |
| 9 | ★ | 1613 | 0.20 | The band at 1613 cm-1 is assigned to aromatic ring vibration. | [6] | High confidence |
| 10 | ★ | 1395 | 0.10 | The band at 1395 cm-1 is assigned to aromatic system. | [5] | High confidence |
| 11 | · | 1296 | 0.09 | - | - | - |
| 12 | · | 1117 | 0.09 | - | - | - |
| 13 | · | 1021 | 0.09 | - | - | - |
| 14 | ★ | 688 | 0.07 | The band at 688 cm-1 is assigned to arenes overtones due to mono substitution. | [1] | High confidence |
| 15 | · | 2841 | 0.07 | - | - | - |
| 16 | · | 2777 | 0.06 | - | - | - |
| 17 | · | 3088 | 0.05 | - | - | - |
| 18 | · | 517 | 0.05 | - | - | - |
| 19 | · | 545 | 0.04 | - | - | - |
References
| No. | Title | DOI | Page |
|---|---|---|---|
| [1] | Cocean 等 - 2022 - The Origin and Physico-Chemical Properties of Some | 10.3390/app12030983 | 8 |
| [2] | Rusu 等 - 2017 - Characterization polyethylene terephthalate nanoco | 10.1051/matecconf/201713708005 | 3 |
| [3] | Ahmed 等 - 2021 - Characterization and Thermal Behavior Study of Bio | 10.3390/su13095249 | 8 |
| [4] | Aliev 等 - 2022 - Development of New Amphiphilic Catalytic Steam Add | 10.3390/catal12080921 | 7 |
| [5] | Rzaczynska 等 - 2011 - Synthesis, spectroscopic and thermal studies of 2, | 10.1007/s10973-010-0927-1 | 3 |
| [6] | Garcia-Fuentevilla 等 - 2023 - Enzyme-Catalyzed Polymerization of Kraft Lignin fr | 10.3390/polym15030513 | 11 |
| [7] | Zhang 等 - 1997 - Miscibility, thermal behaviour and morphological s | - | 4 |
Appendix — Raw Spectrum
Comments and follow-up evidence
Use this area to continue the interpretation, ask questions, or add extra verification evidence.