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heteroatom-containing organic material with possible amine/alcohol character

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Št. rezultata: 20250421190352961844422 Lastnik: publicuser Komentarji: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250421190352961844422 Date: 2025-04-22 03:10:01 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

heteroatom-containing organic material with possible amine/alcohol character

General assessment
-
#7725 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. The top two library candidates are polyamine-related materials: Poly(ethylenimine),epichlorohydrin modified and Poly(ethylenimine).
  2. The observed 3321 cm-1 band is compatible with amine- or alcohol-containing materials.
  3. The 1025 cm-1 band is compatible with C-N or C-O functionality, which is reasonable for polyamine/polyol-like materials among the leading candidates.
Main limitation

All listed library similarities are 0.000, so the library search does not provide a reliable direct match.

Evidence & interpretation
Evidence

Key evidence

Glavno ujemanje knjižnice
Poly(ethylenimine),epichlorohydrin modified #7725 | match 0.0%
Smer materiala
heteroatom-containing organic material with possible amine/alcohol character The FTIR evidence does not support a firm material identification. The nearest library hit is Poly(ethylenimine),epichlorohydrin modified, but the match confidence is effectively absent and no direct or related literature evidence independently supports that assignment. The observed spectrum is dominated by a broad band near 3321 cm-1, a band near 1025 cm-1, and several weak features in the 1900-2300 cm-1 region, which together are more consistent with a broadly heteroatom-containing organic material, potentially bearing hydrogen-bonded O-H and/or N-H groups, than with a securely identified specific polymer or sulfur heterocycle.
Support

Evidence supporting the conclusion

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

  1. The top two library candidates are polyamine-related materials: Poly(ethylenimine),epichlorohydrin modified and Poly(ethylenimine).
  2. The observed 3321 cm-1 band is compatible with amine- or alcohol-containing materials.
  3. The 1025 cm-1 band is compatible with C-N or C-O functionality, which is reasonable for polyamine/polyol-like materials among the leading candidates.
  4. Several leading candidates contain substantial heteroatom content, so a broad heteroatom-containing organic direction is supported more safely than a specific named substance.
  5. A broad absorption at 3321 cm-1 is consistent with hydrogen-bonded O-H and/or N-H stretching.
  6. The band at 1025 cm-1 supports C-O and/or C-N type stretching in an oxygen- or nitrogen-containing organic material.
  7. The feature at 1513 cm-1 may reflect organic backbone deformation or N-H-associated bending, but it is not sufficiently specific on its own.
  8. Multiple features at 1902, 1980, 2071, 2159, 2236, and 2334 cm-1 are atypical as a coherent identifying pattern for the top library candidate and may include weak combination bands, atmospheric contributions, or minor components.
  9. The Top-15 library pattern is internally inconsistent, spanning polyamines, polyols, salts, dyes, and sulfur-containing ring systems rather than one chemically coherent class.
Limitations

Evidence that limits the conclusion

  • All listed library similarities are 0.000, so the library search does not provide a reliable direct match.
  • The library consensus note pointing to sulfur heterocycle / methyl is not convincingly reflected by the observed peak set, which lacks clear characteristic aromatic sulfur-heterocycle evidence.
  • The observed peak set does not show a distinctive, complete pattern expected to safely confirm the named top candidate.
  • The broad 3321 cm-1 feature cannot distinguish confidently between O-H-rich and N-H-rich materials.
  • The weak structure in the 1900-2300 cm-1 region remains ambiguous and may not belong to the principal sample chemistry.
  • Without stronger fingerprint-region agreement, the present data cannot separate polyamine, polyol, or other heteroatom-containing organic possibilities.
  • A specific entity-level identification is not supportable from the current FTIR evidence alone.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum with atmospheric CO2/H2O background control to check whether features near 2236 and 2334 cm-1 persist.
  • Obtain a higher-quality fingerprint-region spectrum, especially 1800-700 cm-1, and compare for characteristic amine versus alcohol/polyol band patterns.
  • Check for complementary evidence by Raman, elemental analysis, or XPS to determine whether nitrogen, sulfur, or chlorine is actually present.
  • If a poly(ethylenimine)-type material is suspected, verify with wet-chemical amine testing or compare against authenticated PEI and epichlorohydrin-modified PEI reference spectra under the same measurement conditions.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1025 1.00 - - - -
2 · 897 0.61 - - - -
3 · 1513 0.35 - - - -
4 · 1980 0.32 - - - -
5 · 3321 0.30 - - - -
6 · 2159 0.25 - - - -
7 · 1902 0.23 - - - -
8 · 2236 0.21 - - - -
9 · 2071 0.21 - - - -
10 · 2334 0.20 - - - -
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction was cancelled by the user.

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

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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  • 22 Apr '25

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