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Phosphorus-containing organic compound with aromatic and methacrylate features

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Result No.: 20250922131844482254412 Owner: publicuser Comments: 0
FTIR Analysis Report Low confidence

Phosphorus-containing organic compound with aromatic and methacrylate features

Sample & Measurement Parameters

Report No. 20250922131844482254412
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 29%

Identification Result

29%

The FTIR spectrum is indicative of a phosphorus-containing organic material, likely comprising a phosphite or phosphate ester backbone, in combination with aromatic and methacrylate functional groups. The presence of a strong band near 1007 cm⁻¹ suggests a phosphorus‑oxygen stretching vibration, while bands in the 600–900 cm⁻¹ region are consistent with aromatic out‑of‑plane C–H deformations. A carbonyl‑related absorption at 1417 cm⁻¹ and a prominent O–H stretch at 3709 cm⁻¹ further point to an organic ester or carboxylic acid component, potentially methacrylate‑derived 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: Tris(2-chloroethyl) phosphite #63580
  • The direct literature assignment at 1007 cm⁻¹ to siloxane by [5] would be inconsistent with a phosphorus‑based system, but the weight of evidence favors a phosphate interpretation.
  • The library’s top hit is a chlorinated phosphite; however, no distinct C–Cl bands are observed in the sample, suggesting the absence of significant chlorine‑containing components.
  • The identification remains tentative due to the low library match confidence and the diverse possible interpretations of the overlapping fingerprint region.
  • The exact molecular structure cannot be determined solely by FTIR.

Recommended next steps: Confirm phosphorus and aromatic/methacrylate nature by X‑ray fluorescence (XRF) for phosphorus, nuclear magnetic resonance (NMR) for functional group identification, or a targeted library search with higher spectral resolution. Complementary techniques such as Raman spectroscopy may help distinguish phosphate from silicaceous materials and resolve overlapping 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 · 1007 1.00 - - -
2 · 872 0.76 - - -
3 · 692 0.45 - - -
4 · 712 0.45 - - -
5 · 777 0.44 - - -
6 · 1417 0.39 - - -
7 · 3709 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250922131844482254412
Discussion

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