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Result No.: 20260623002951974355
FTIR Evidence Report Moderate confidence

nitroaromatic carbonyl compound

Sample & Measurement Parameters

Report No. 20260623002951974355
Date 2026-06-23 00:35:29
Spectral Range (cm⁻¹) [(400, 4000)]
Baseline AsLS baseline correction
Library similarity 70%
Multiple candidates are close — identity is uncertain; consider the material direction only.

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 spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
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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

References

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260623002951974355 2026-06-23 00:35:29