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ester-containing aliphatic organic material, plausibly an acrylic or other aliphatic ester-based polymer or coating component

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結果編號: 20250620170103988737696 擁有者: publicuser 評論: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250620170103988737696 Date: 2025-06-20 16:03:36 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

ester-containing aliphatic organic material, plausibly an acrylic or other aliphatic ester-based polymer or coating component

General assessment
-
#380 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Observed ester carbonyl absorption at 1743 cm-1.
  2. Observed ester-related C-O region bands at 1257, 1179, 1119, and 1066 cm-1.
  3. Observed aliphatic C-H stretching and deformation bands at 2963, 2873, 1458, and 1379 cm-1.
Main limitation

The leading library match has zero reported similarity, so the named top hit is not strong identification evidence by itself.

Evidence & interpretation
Evidence

Key evidence

資料庫主要匹配
Poly(2-ethylhexyl acrylate) #380 | match 0.0%
材料方向
ester-containing aliphatic organic material, plausibly an acrylic or other aliphatic ester-based polymer or coating component The spectrum is most consistent with an ester-rich aliphatic material rather than a confidently identified single compound. The strongest observed feature is a carbonyl band at 1743 cm-1, accompanied by multiple C-O stretching bands at 1257, 1179, 1119, and 1066 cm-1 and aliphatic C-H bands at 2963 and 2873 cm-1. This pattern supports an aliphatic ester composition. The library top hit is Poly(2-ethylhexyl acrylate), and the broader Top-15 pattern also leans toward esters, acrylic materials, and polyester-like substances, but all listed similarities are effectively zero and no direct reference or related-literature evidence independently confirms that specific assignment. A broader ester-based material direction is therefore more chemically supportable than a firm entity identification.
Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

  1. The spectrum is most consistent with an ester-rich aliphatic material rather than a confidently identified single compound. The strongest observed feature is a carbonyl band at 1743 cm-1, accompanied by multiple C-O stretching bands at 1257, 1179, 1119, and 1066 cm-1 and aliphatic C-H bands at 2963 and 2873 cm-1. This pattern supports an aliphatic ester composition. The library top hit is Poly(2-ethylhexyl acrylate), and the broader Top-15 pattern also leans toward esters, acrylic materials, and polyester-like substances, but all listed similarities are effectively zero and no direct reference or related-literature evidence independently confirms that specific assignment. A broader ester-based material direction is therefore more chemically supportable than a firm entity identification.
  2. Observed ester carbonyl absorption at 1743 cm-1.
  3. Observed ester-related C-O region bands at 1257, 1179, 1119, and 1066 cm-1.
  4. Observed aliphatic C-H stretching and deformation bands at 2963, 2873, 1458, and 1379 cm-1.
  5. Library candidates are dominated by ester-containing molecules and ester-based polymers, supporting an ester-rich material direction.
  6. A strong band at 1743 cm-1 is characteristic of an ester carbonyl.
  7. Bands at 1257, 1179, 1119, and 1066 cm-1 support C-O stretching expected for ester-containing materials.
  8. Bands at 2963, 2873, 1458, and 1379 cm-1 are consistent with aliphatic hydrocarbon substituents.
  9. The Top-15 library pattern contains several esters and ester-based polymer candidates, including Poly(2-ethylhexyl acrylate), Poly(methyl methacrylate:butyl acrylate), ACRYLIC POLYMER, and Mixed Dibasic Acid Polyester.
  10. Lower-wavenumber bands at 942, 839, and 740 cm-1 may reflect substituted alkyl or polymer backbone/out-of-plane modes, but they do not uniquely define a single material.
Limitations

Evidence that limits the conclusion

  • The leading library match has zero reported similarity, so the named top hit is not strong identification evidence by itself.
  • No related-literature evidence was recovered to independently narrow the assignment.
  • The present peak list supports ester functionality but does not securely distinguish among acrylic ester polymers, other ester polymers, or nonpolymeric ester-rich coating components.
  • It remains uncertain whether the sample is specifically Poly(2-ethylhexyl acrylate), a different acrylic ester polymer, a polyester-type material, or an ester-containing mixture.
  • The available evidence does not establish polymer identity, monomer composition, or whether the material is pure versus formulated.
  • Bands below 1000 cm-1 are not distinctive enough here to support a narrower assignment.
Recommendation

Suggested next verification

  • Re-examine the full FTIR spectrum, especially band shapes and relative intensities in the 1800-900 cm-1 region, against authenticated acrylic ester polymer and polyester references.
  • Check for additional features outside the current peak list, such as O-H, aromatic, or unsaturation-related bands, to determine whether the sample is a simple aliphatic ester polymer or a more complex formulation.
  • If available, run ATR-FTIR with improved signal-to-noise and compare directly to reference spectra for Poly(2-ethylhexyl acrylate), butyl acrylate-containing copolymers, PMMA-acrylate copolymers, and polyester coating materials.
  • Use complementary analysis such as pyrolysis-GC/MS, GC/MS of extractables, or DSC/TGA to distinguish a specific acrylic polymer from other ester-based coating or binder materials.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1743 1.00 - - - -
2 · 2963 0.86 - - - -
3 · 2873 0.61 - - - -
4 · 1179 0.53 - - - -
5 · 1458 0.49 - - - -
6 · 1257 0.48 - - - -
7 · 1066 0.22 - - - -
8 · 1379 0.21 - - - -
9 · 1119 0.21 - - - -
10 · 740 0.20 - - - -
11 · 942 0.16 - - - -
12 · 839 0.15 - - - -
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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