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Nitroaromatic carbonyl compound, likely a nitrobenzaldehyde

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Result No.: 20260622110253219434335 Owner: Admin Comments: 0
FTIR Analysis Report Moderate confidence

Nitroaromatic carbonyl compound, likely a nitrobenzaldehyde

Sample & Measurement Parameters

Report No. 20260622110253219434335
Date 2026-06-22 03:41:03
Spectral Range (cm⁻¹) [(400, 4000)]
Baseline ALS
Confidence 70%

Identification Result

70%

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

Library Comparison

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Library Search Results — Top 15 Candidates

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Peak Analysis

★ = Literature-supported assignment
# 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 - - -

References

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260622110253219434335 2026-06-22 03:41:03
Discussion

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