RESULT PAGE

Organic mixture with cyclic and methyl functionalities, possibly containing carbonyl, ester, amide, carboxylate groups, and aromatic rings, with minor inorganic content

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Result No.: 20260116042602394604636 Owner: Admin Comments: 0
FTIR Analysis Report Low confidence

Organic mixture with cyclic and methyl functionalities, possibly containing carbonyl, ester, amide, carboxylate groups, and aromatic rings, with minor inorganic content

Sample & Measurement Parameters

Report No. 20260116042602394604636
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 36%

Identification Result

36%

The FTIR spectrum of this sample is dominated by bands characteristic of aliphatic hydrocarbons, ether/alcohol C-O stretching, and aromatic and amine/amide functionalities. The library search suggests 2-tert-butylcyclohexan-1-one as the nearest match, but the low confidence and missing ketone carbonyl band, along with indications of inorganic impurities, indicate that the material is more complex. The overall evidence points to an organic mixture containing cyclic and methyl groups, possibly with ketone, ester, amide, or carboxylate components, and likely includes aromatic rings and minor inorganic contamination 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: 2-tert-butylcyclohexan-1-one #82354
  • The peaks at 830 and 1017 cm⁻¹ have been attributed in literature to silicon-nitrogen [12] and silicon-oxygen [10] species, respectively, which do not align with the primarily organic direction and may indicate a minor inorganic component or contamination.
  • The library match to 2-tert-butylcyclohexan-1-one lacks a strong carbonyl band (expected near 1715 cm⁻¹) and shows only 15% confidence, limiting the reliability of a specific ketone assignment.
  • The low library similarity and the absence of a definitive carbonyl peak prevent a conclusive identification as a pure ketone.
  • The C-O-occurrence of aliphatic, aromatic, ether, and amine/amide features suggests a mixture rather than a single molecular entity.
  • Interpretations for bands at 1510 cm⁻¹ (ammonium/amide) and 1392 cm⁻¹ (terephthalate) rely on limited citations and may not fully capture the sample's composition.

Recommended next steps: Complementary analyses such as GC-MS, elemental analysis, or NMR could help resolve the complex mixture. If the sample is a composite or blend, physical separation followed by FTIR of isolated fractions may provide clearer fingerprints. Re‑examination of the sample under standardized conditions, including careful background subtraction, could help verify the weak or missing bands.

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 · 2963 1.00 - - -
2 · 830 0.43 - - -
3 · 1510 0.33 - - -
4 · 2869 0.30 - - -
5 · 1269 0.28 - - -
6 · 1363 0.27 - - -
7 · 1463 0.20 - - -
8 · 1112 0.19 - - -
9 · 1413 0.15 - - -
10 · 3026 0.14 - - -
11 · 1017 0.12 - - -
12 · 1392 0.12 - - -
13 · 3056 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260116042602394604636
Discussion

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