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The main component may be a nitroaromatic carbonyl compound, likely a nitrobenzaldehyde. The observed spectrum shows aromatic C–H stretching at 3088 cm⁻¹ and aromatic ring vibrations at 1613 and 1550 cm⁻¹, consistent with a substituted benzene ring. Strong bands at 1550 (asymmetric) and 1351/1335 cm⁻¹ (symmetric) indicate a nitro group directly attached to the aromatic system. Carbonyl absorption appears as a strong band at 1724 cm⁻¹ with a shoulder near 1740 cm⁻¹, and the Fermi doublet at 2841 and 2778 cm⁻¹ is characteristic of an aldehyde C–H stretch. These features collectively point to a nitrobenzaldehyde-type structure. Confirmation by GC-MS or NMR would resolve the specific isomer and exclude other nitroaromatic carbonyls
| Rank | Match % | Compound | Formula / SMILES | Library Preview | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Confidence | |
|---|---|---|---|---|---|---|
| 1 | ★ | 1724 | 1.00 | The band at 1724 cm-1 is assigned to C=O. | [5] | High confidence |
| 2 | · | 1351 | 0.69 | - | - | - |
| 3 | · | 1550 | 0.34 | - | - | - |
| 4 | · | 747 | 0.33 | - | - | - |
| 5 | · | 1199 | 0.32 | - | - | - |
| 6 | ★ | 724 | 0.25 | The band at 724 cm-1 is assigned to aromatic C-H wagging. | [2] | High confidence |
| 7 | · | 861 | 0.25 | - | - | - |
| 8 | ★ | 830 | 0.24 | The band at 830 cm-1 is assigned to aromatic ring vibration. | [3] | High confidence |
| 9 | ★ | 1613 | 0.19 | The band at 1613 cm-1 is assigned to aromatic ring vibration. | [4] | High confidence |
| 10 | · | 1335 | 0.13 | - | - | - |
| 11 | ★ | 688 | 0.09 | The band at 688 cm-1 is assigned to arenes overtones due to mono substitution. | [1] | High confidence |
| 12 | · | 1117 | 0.08 | - | - | - |
| 13 | · | 1296 | 0.08 | - | - | - |
| 14 | · | 1021 | 0.08 | - | - | - |
| 15 | · | 2841 | 0.06 | - | - | - |
| 16 | ★ | 2778 | 0.06 | The band at 2778 cm-1 is assigned to C-H in o=C-H. | [7] | Moderate confidence |
| 17 | · | 3088 | 0.05 | - | - | - |
| 18 | ★ | 1740 | 0.05 | The band at 1740 cm-1 is assigned to C=O. | [6] | High confidence |
| 19 | · | 517 | 0.04 | - | - | - |
| 20 | · | 545 | 0.04 | - | - | - |
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