RESULT PAGE

aromatic unsaturated ketone with aliphatic side chains (naphthoquinone type)

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Result No.: 20260519223000194986327 Owner: shawn Comments: 0
FTIR Analysis Report Moderate confidence

aromatic unsaturated ketone with aliphatic side chains (naphthoquinone type)

Sample & Measurement Parameters

Report No. 20260519223000194986327
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 77%

Identification Result

77%

The sample spectrum exhibits bands typical of an organic molecule with aromatic unsaturation, a conjugated carbonyl system, and long aliphatic chains. reference library comparison returns Menatetrenone (a naphthoquinone vitamin K2 analogue) as the closest match at moderate confidence (69%). However, low‑wavenumber direct‑literature assignments point to inorganic species (metal–oxygen, silicon–oxygen, phosphate), which conflict with a pure organic compound. The C–H stretching, carbonyl, and aromatic ring modes agree broadly with the library direction, but the contradictory evidence and moderate library confidence preclude a definitive identification. The sample may be a mixture or the library match may be coincidental FTIR In-Depth Interpretation was not selected for this task, so this section shows the library-search result only and no deep AI interpretation was run.

Detailed interpretation

  • Top library match: Menatetrenone #123713
  • Direct literature assignments link peaks at 423, 444, 483, 564, and 598 cm⁻¹ to inorganic moieties (metal‑oxygen, silicon‑oxygen, phosphate), which cannot be explained by Menatetrenone alone.
  • These inorganic absorptions are strong enough to suggest that the sample may contain mineral components, or that the library match is not the main spectral contributor.
  • Library confidence is moderate (69%), and the best hit (Menatetrenone) does not account for several low‑wavenumber bands.
  • Direct‑evidence peak assignments are derived from a wide range of material systems, many of which are not chemically related to naphthoquinones, lowering their reliability for this sample.
  • The possibility of a mixture or a structurally related impurity cannot be excluded without additional analysis.

Recommended next steps: Obtain an independent molecular weight determination (e.g., LC‑MS or GC‑MS) to verify the presence of Menatetrenone or similar naphthoquinones. Examine the sample by X‑ray fluorescence or EDS to assess whether the inorganic signatures (Si, Ca, etc.) indicate a composite or contaminated material. If the sample is a mixture, consider fractional dissolution or chromatographic separation to isolate the organic component for a purer FTIR spectrum.

Library Comparison

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 · 1659 1.00 - - -
2 · 1294 0.71 - - -
3 · 719 0.63 - - -
4 · 1591 0.43 - - -
5 · 870 0.40 - - -
6 · 2962 0.39 - - -
7 · 2908 0.37 - - -
8 · 796 0.37 - - -
9 · 1618 0.37 - - -
10 · 423 0.36 - - -
11 · 691 0.33 - - -
12 · 2850 0.33 - - -
13 · 1327 0.33 - - -
14 · 2931 0.33 - - -
15 · 1451 0.28 - - -
16 · 444 0.28 - - -
17 · 1254 0.23 - - -
18 · 2360 0.23 - - -
19 · 1381 0.21 - - -
20 · 469 0.20 - - -
21 · 942 0.19 - - -
22 · 970 0.18 - - -
23 · 752 0.17 - - -
24 · 1226 0.16 - - -
25 · 2339 0.16 - - -
26 · 598 0.15 - - -
27 · 635 0.15 - - -
28 · 1170 0.14 - - -
29 · 483 0.12 - - -
30 · 769 0.11 - - -
31 · 665 0.11 - - -
32 · 837 0.11 - - -
33 · 564 0.10 - - -
34 · 1134 0.09 - - -
35 · 1193 0.08 - - -
36 · 888 0.07 - - -
37 · 1107 0.07 - - -
38 · 3070 0.06 - - -
39 · 1873 0.06 - - -
40 · 3748 0.05 - - -
41 · 1059 0.05 - - -
42 · 3302 0.05 - - -
43 · 3819 0.04 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260519223000194986327
Discussion

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