RESULT PAGE

Aromatic/methyl organic compound with carboxyl/carbonyl and phosphate or C-O groups

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Result No.: 20260417121108261455648 Owner: f Comments: 0
FTIR Analysis Report Moderate confidence

Aromatic/methyl organic compound with carboxyl/carbonyl and phosphate or C-O groups

Sample & Measurement Parameters

Report No. 20260417121108261455648
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 74%

Identification Result

74%

The FTIR spectrum is consistent with an aromatic or methyl‑containing organic material that also exhibits clear carbonyl and carboxylate signatures. A strong band at 1713 cm⁻¹ reveals carbonyl (C=O) stretching typical of esters, ketones, or carboxylic acids, while the peak at 1409 cm⁻¹ matches carboxylate symmetric stretching. Absorptions at 1018 and 1108 cm⁻¹ lie in the C–O stretching region and can originate from organic esters, polysaccharides, or phosphate groups. The library’s top match, 3‑chloropyridine, is not confirmed because the expected C–Cl vibrations are absent; the collective evidence points toward a mixed organic system with both carbonyl/carboxyl and C–O/phosphate character 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: 3-Chloropyridine #62035
  • The 1018 cm⁻¹ band has been previously assigned to silicon‑oxygen [3] and phosphate in separate studies, introducing assignment ambiguity.
  • The absence of characteristic C–Cl stretching bands below 800 cm⁻¹ does not support the chlorinated aromatic structure of 3‑chloropyridine.
  • Whether the C–O‑rich bands represent organic ester, polysaccharide, or phosphate cannot be distinguished by FTIR alone.
  • The collected spectral range lacks low‑wavenumber vibrations that would be necessary to confirm halogen or metal‑oxygen bonds.
  • The library match confidence is moderate (0.76) and the spectral features suggest a mixture rather than a single pure entity.

Recommended next steps: Perform elemental analysis (e.g., XRF or EDX) to determine the presence of phosphorus, chlorine, or silicon. Acquire extended‑range or far‑IR spectra to examine bands below 600 cm⁻¹ for halogen and metal‑oxygen modes. Apply separation techniques such as chromatography to resolve the mixture before further spectroscopic characterization.

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 · 1108 1.00 - - -
2 · 1713 0.88 - - -
3 · 1018 0.55 - - -
4 · 1409 0.43 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260417121108261455648
Discussion

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