RESULT PAGE

aromatic hydrocarbon polymer (polystyrene‑like) with additional carbonyl and possibly sulfate functional groups

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Result No.: 20250819152931859671962 Owner: publicuser Comments: 0
FTIR Analysis Report Low confidence

aromatic hydrocarbon polymer (polystyrene‑like) with additional carbonyl and possibly sulfate functional groups

Sample & Measurement Parameters

Report No. 20250819152931859671962
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 29%

Identification Result

29%

The infrared spectrum displays a combination of aromatic C–H, ring‑skeletal, and aliphatic C–H bands that closely matches the multivariate loading pattern of polystyrene reported in the literature. An intense carbonyl envelope near 1735 cm⁻¹ and weaker features attributable to sulfate or amide‑related vibrations suggest the presence of oxygenated or sulfated comonomer/additive units. Because the library match is only weak (15 % confidence; leading hits include a flavonoid, a thiazolidinium, and a butadiene–styrene copolymer), a single definitive identity cannot be assigned 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: 6-hydroxy-2-phenylchromen-4-one #25302
  • The direct‑reference evidence assigns the 660, 676, 689, and 702 cm⁻¹ bands to inorganic metal‑oxygen vibrations (Ti–O–Ti, Zn–O, Fe–O) [28][5], which conflicts with the organic polymer character observed in the rest of the spectrum; these inorganic assignments are not consistent with the bulk material direction.
  • Library candidates such as sulfamide (#24854) and cyclohexane‑1,4‑diamine (#69210) are structurally remote from the observed aromatic‑rich spectrum and thus do not fit the spectral evidence.
  • The library match confidence is very low (15 %); the most similar hit is a flavonoid that contains a carbonyl and aromatic ring but lacks the dominating aliphatic hydrocarbon character seen in the sample.
  • The exact nature of the carbonyl‑containing species (ester, acid, ketone, or amide) cannot be definitively resolved without complementary information.
  • The possibility of a styrene‑based copolymer with polar comonomers (e.g., acrylate, maleic anhydride, or sulfonated styrene) remains plausible but unconfirmed.

Recommended next steps: Perform a solubility or pyrolysis‑GC/MS analysis to verify whether the material is a styrene‑based polymer and to identify the nature of the carbonyl and sulfur‑containing units. Compare the spectrum with reference spectra of polystyrene, styrene‑acrylate copolymers, and sulfonated polystyrene to narrow the copolymer composition. Acquire a Raman spectrum to confirm the absence of inorganic oxide fillers that might account for the low‑wavenumber 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 · 1515 1.00 - - -
2 · 1256 0.99 - - -
3 · 660 0.96 - - -
4 · 1610 0.94 - - -
5 · 676 0.93 - - -
6 · 689 0.89 - - -
7 · 1473 0.88 - - -
8 · 838 0.87 - - -
9 · 1046 0.86 - - -
10 · 1654 0.86 - - -
11 · 1115 0.85 - - -
12 · 1185 0.85 - - -
13 · 774 0.84 - - -
14 · 702 0.81 - - -
15 · 923 0.81 - - -
16 · 2929 0.81 - - -
17 · 2971 0.81 - - -
18 · 723 0.80 - - -
19 · 3350 0.77 - - -
20 · 3038 0.77 - - -
21 · 3391 0.77 - - -
22 · 3321 0.76 - - -
23 · 1735 0.76 - - -
24 · 3149 0.74 - - -
25 · 3488 0.72 - - -
26 · 3616 0.60 - - -
27 · 3644 0.55 - - -
28 · 3686 0.51 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250819152931859671962
Discussion

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