Instrument Result View
nitroaromatic carbonyl compound
Sample & Measurement Parameters
Interpretation summary
70%The main component may be a nitroaromatic carbonyl compound. The spectrum shows a strong carbonyl absorption centered at 1724 cm⁻¹ with a shoulder at 1740 cm⁻¹, consistent with aldehydes, ketones, or carboxylic acids. Nitro group signatures appear as an asymmetric N–O stretch near 1550 cm⁻¹ and symmetric N–O stretches around 1351 and 1335 cm⁻¹. Aromatic C–H stretching is visible at 3088 cm⁻¹, and ring modes at 1613 and 724 cm⁻¹ indicate a substituted aromatic ring. The two weak bands at 2778 and 2841 cm⁻¹ are characteristic of an aldehyde C–H stretch, suggesting a benzaldehyde framework, although other carbonyl types cannot be ruled out. Fingerprint bands at 830, 861, 1021, 1117, 1199, and 1296 cm⁻¹ further support a highly substituted aromatic system bearing electron-withdrawing groups. Confirmation by GC-MS or NMR is recommended to identify the specific substitution pattern and functional group
Detailed interpretation
- Top library match: 4-nitrobenzaldehyde #13530
Retrieved reference candidates
Library Search Results — Top 15 Candidates
| Rank | Match % | Compound | SMILES | Spectrum No. | Action |
|---|---|---|---|---|---|
| Loading library candidates... | |||||
Peak Analysis
★ = Literature-supported assignment| # | Wavenumber (cm⁻¹) | Absorbance | Assignment | Citation | Assignment status | |
|---|---|---|---|---|---|---|
| 1 | ★ | 1724 | 1.00 | The band at 1724 cm-1 is assigned to C=O. | [6] | High confidence |
| 2 | · | 1351 | 0.69 | - | - | - |
| 3 | · | 1550 | 0.34 | - | - | - |
| 4 | ★ | 1199 | 0.32 | The band at 1199 cm-1 is assigned to aromatic ethers. | [3] | High confidence |
| 5 | · | 747 | 0.31 | - | - | - |
| 6 | · | 861 | 0.24 | - | - | - |
| 7 | · | 830 | 0.23 | - | - | - |
| 8 | ★ | 724 | 0.23 | The band at 724 cm-1 is assigned to aromatic C-H wagging. | [1] | High confidence |
| 9 | ★ | 1613 | 0.18 | The band at 1613 cm-1 is assigned to aromatic ring vibration. | [5] | High confidence |
| 10 | · | 1335 | 0.12 | - | - | - |
| 11 | · | 1117 | 0.08 | - | - | - |
| 12 | ★ | 1021 | 0.08 | The band at 1021 cm-1 is assigned to C-O vibration. | [2] | High confidence |
| 13 | ★ | 1296 | 0.07 | The band at 1296 cm-1 is assigned to C-N or C=N vibration. | [4] | High confidence |
| 14 | · | 688 | 0.07 | - | - | - |
| 15 | · | 2841 | 0.06 | - | - | - |
| 16 | ★ | 2778 | 0.05 | The band at 2778 cm-1 is assigned to C-H in o=C-H. | [8] | Moderate 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. | [7] | High confidence |