RESULT PAGE

aromatic carbonyl-containing organic compound, likely with imide- or acyl-substituted aromatic character

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Result No.: 20250404171732621369580 Owner: publicuser Comments: 0
FTIR Analysis Report

aromatic carbonyl-containing organic compound, likely with imide- or acyl-substituted aromatic character

Sample & Measurement Parameters

Report No. 20250404171732621369580
Date 2025-04-04 15:19:58
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The library top hit is BENZOYL CYANIDE, but the search confidence is effectively zero and the broader evidence does not support a firm compound-level assignment. The sample is more safely described as an aromatic carbonyl-containing organic material. The band pattern includes aromatic-region features and strong carbonyl absorption, with two high-frequency carbonyl bands at 1772 and 1684 cm-1 that are more consistent with an imide-, anhydride-, or otherwise strongly conjugated/acyl-substituted aromatic system than with benzoyl cyanide alone

Detailed interpretation

  • Top library match: BENZOYL CYANIDE #7574
  • The library match quality is very weak: all listed similarities are 0.000, S-O the top hit is not a reliable identification by itself.
  • BENZOYL CYANIDE is not securely supported because the peak list does not show a clear nitrile stretching band in the usual 2210-2260 cm-1 region.
  • The pair of carbonyl bands at 1772 and 1684 cm-1 is not a clean fit for a simple aryl ketone nitrile and points toward a broader carbonyl-containing aromatic class instead.
  • The present evidence supports chemical direction better than exact identity.
  • The carbonyl pattern could reflect an imide, anhydride, or another conjugated acyl-substituted aromatic structure, but the available FTIR evidence is not sufficient to distinguish among these possibilities confidently.
  • Because no direct literature match was recovered, the exact role of nitrogen-containing functionality remains uncertain.

Recommended next steps: Re-examine the full spectrum specifically for any weak or obscured band in the 2210-2260 cm-1 region to test the benzoyl cyanide possibility. Check whether the 1772 and 1684 cm-1 bands are both true sample absorptions and not artifacts; their persistence would favor an imide- or anhydride-like assignment over benzoyl cyanide. Acquire complementary Raman, GC-MS, or LC-MS data if the sample is molecular and extractable; these methods would quickly distinguish a nitrile-containing aryl ketone from an imide-like aromatic compound. If additional FTIR collection is possible, obtain higher-quality baseline-corrected data and inspect the 3100-2800 cm-1 and 1850-1600 cm-1 regions for clearer aromatic C-H and carbonyl-shape information.

Library Comparison

Match group:
Library spectrum will appear here.

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 · 1772 1.00 - - -
2 · 1577 0.98 - - -
3 · 1247 0.94 - - -
4 · 656 0.81 - - -
5 · 1394 0.77 - - -
6 · 1310 0.76 - - -
7 · 1684 0.76 - - -
8 · 1481 0.75 - - -
9 · 1377 0.71 - - -
10 · 1119 0.69 - - -
11 · 1281 0.67 - - -
12 · 732 0.66 - - -
13 · 694 0.64 - - -
14 · 767 0.64 - - -
15 · 1143 0.62 - - -
16 · 1518 0.61 - - -
17 · 1449 0.59 - - -
18 · 1327 0.59 - - -
19 · 1217 0.55 - - -
20 · 787 0.55 - - -
21 · 837 0.54 - - -
22 · 847 0.54 - - -
23 · 1075 0.53 - - -
24 · 1019 0.52 - - -
25 · 806 0.51 - - -
26 · 1007 0.50 - - -
27 · 1192 0.50 - - -
28 · 1177 0.46 - - -
29 · 1360 0.45 - - -
30 · 1041 0.37 - - -
31 · 985 0.37 - - -
32 · 2968 0.34 - - -
33 · 2915 0.30 - - -
34 · 872 0.29 - - -
35 · 896 0.29 - - -
36 · 921 0.25 - - -
37 · 955 0.21 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250404171732621369580 2025-04-04 15:19:58
Discussion

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