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The main component may be a nitro-substituted aromatic aldehyde. The spectrum exhibits aldehyde C–H stretching absorptions at 2778 and 2841 cm⁻¹, together with strong carbonyl bands near 1724 and 1740 cm⁻¹, characteristic of an aromatic aldehyde. Aromatic ring vibrations appear around 1613 and 1550 cm⁻¹, and a series of intense bands between 1335 and 1351 cm⁻¹ are consistent with symmetric and asymmetric nitro group stretching. Aromatic C–H stretching is observed at 3088 cm⁻¹. The overall spectral pattern points to a mono- or dinitrobenzaldehyde. Confirmation of the exact substitution pattern and number of nitro groups could be obtained by ¹H NMR or high-resolution mass spectrometry
| 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. | [1] | High confidence |
| 2 | · | 1351 | 0.69 | - | - | - |
| 3 | · | 1550 | 0.34 | - | - | - |
| 4 | · | 1199 | 0.32 | - | - | - |
| 5 | · | 747 | 0.31 | - | - | - |
| 6 | · | 861 | 0.24 | - | - | - |
| 7 | · | 830 | 0.23 | - | - | - |
| 8 | · | 724 | 0.23 | - | - | - |
| 9 | · | 1613 | 0.18 | - | - | - |
| 10 | · | 1335 | 0.12 | - | - | - |
| 11 | · | 1117 | 0.08 | - | - | - |
| 12 | · | 1021 | 0.08 | - | - | - |
| 13 | · | 1296 | 0.07 | - | - | - |
| 14 | · | 688 | 0.07 | - | - | - |
| 15 | ★ | 2841 | 0.06 | The band at 2841 cm-1 is assigned to C-H bonds in alkyl and methoxy. | [4] | Moderate confidence |
| 16 | ★ | 2778 | 0.05 | The band at 2778 cm-1 is assigned to C-H in o=C-H. | [3] | High confidence |
| 17 | · | 3088 | 0.05 | - | - | - |
| 18 | · | 517 | 0.04 | - | - | - |
| 19 | · | 545 | 0.04 | - | - | - |
| 20 | ★ | 1740 | 0.04 | The band at 1740 cm-1 is assigned to C=O. | [2] | High confidence |
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