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The main component may be a nitrobenzaldehyde derivative. The spectrum exhibits aromatic C–H stretching at 3088 cm⁻¹ and ring vibrations at 1613 and 1550 cm⁻¹, along with aldehyde Fermi resonance doublet at 2778 and 2841 cm⁻¹ indicative of an aryl aldehyde. Strong carbonyl absorption at 1724 cm⁻¹ (with a shoulder near 1740 cm⁻¹) is consistent with a conjugated aldehyde. Prominent bands at 1351 and 1335 cm⁻¹, together with the 1550 cm⁻¹ band, are characteristic of aromatic nitro substitution. The overall spectral pattern matches a nitrobenzaldehyde. Confirmatory NMR or mass spectrometry would help resolve the exact isomer and substitution pattern
| 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 heptaldehyde. | [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. | [1] | Moderate confidence |
| 7 | · | 861 | 0.25 | - | - | - |
| 8 | ★ | 830 | 0.24 | The band at 830 cm-1 is assigned to aromatic ring vibration. | [2] | Moderate confidence |
| 9 | ★ | 1613 | 0.19 | The band at 1613 cm-1 is assigned to aromatic ring vibration. | [4] | High confidence |
| 10 | ★ | 1335 | 0.13 | The band at 1335 cm-1 is assigned to C-N or C=N vibration. | [3] | Moderate confidence |
| 11 | · | 688 | 0.09 | - | - | - |
| 12 | · | 1117 | 0.08 | - | - | - |
| 13 | · | 1296 | 0.08 | - | - | - |
| 14 | · | 1021 | 0.08 | - | - | - |
| 15 | ★ | 2841 | 0.06 | The band at 2841 cm-1 is assigned to C-H bonds in alkyl and methoxy. | [8] | Moderate confidence |
| 16 | ★ | 2778 | 0.06 | The band at 2778 cm-1 is assigned to C-H in o=C-H. | [7] | High confidence |
| 17 | · | 3088 | 0.05 | - | - | - |
| 18 | ★ | 1740 | 0.05 | The band at 1740 cm-1 is assigned to C=O. | [6] | Moderate confidence |
| 19 | · | 517 | 0.04 | - | - | - |
| 20 | · | 545 | 0.04 | - | - | - |
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