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NIÐURSTÖÐUSÍÐA

heteroatom-containing organic material with methyl-substituted ring and possible ether or hydroxyl functionality

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Niðurstöðunúmer: 20250603172240344596261 Eigandi: publicuser Athugasemdir: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250603172240344596261 Date: 2025-06-03 15:23:47 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 methyl-substituted ring and possible ether or hydroxyl functionality

General assessment
-
#7725 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Broad absorption at 3280 cm-1 supports O-H and/or N-H containing organic chemistry.
  2. Bands at 2922 and 2853 cm-1 support an aliphatic hydrocarbon backbone or substituents.
  3. Fingerprint-region bands at 1246 and 1086 cm-1 support heteroatom-containing linkages, especially C-O and/or C-N.
Main limitation

The proposed library entity Poly(ethylenimine),epichlorohydrin modified is not directly supported by a distinctive confirming band pattern in the provided evidence.

Evidence & interpretation
Evidence

Key evidence

Efsta samsvörun í safni
Poly(ethylenimine),epichlorohydrin modified #7725 | match 0.0%
Efnisstefna
heteroatom-containing organic material with methyl-substituted ring and possible ether or hydroxyl functionality The current FTIR result does not support a firm material identification. The library top hit is Poly(ethylenimine),epichlorohydrin modified, but all reported library similarities are 0.000 and there is no direct or related literature evidence that independently confirms that specific polymer. The observed bands indicate a heteroatom-containing organic material, with broad O-H or N-H stretching near 3280 cm-1, aliphatic C-H stretching at 2922 and 2853 cm-1, a band near 1635 cm-1 consistent with unsaturation, aromatic/ring-associated vibration, or H-O-H bending, and strong fingerprint-region absorption at 1246 and 1086 cm-1 consistent with C-O and/or C-N type bonding. Bands at 826 and 873 cm-1 suggest substituted ring or out-of-plane deformation features. Because the top-15 library pattern is chemically mixed and no identifying band set securely anchors a specific polymer, the most defensible conclusion is a broader heteroatom-containing organic material direction rather than an entity-level assignment.
Support

Evidence supporting the conclusion

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

  1. Broad absorption at 3280 cm-1 supports O-H and/or N-H containing organic chemistry.
  2. Bands at 2922 and 2853 cm-1 support an aliphatic hydrocarbon backbone or substituents.
  3. Fingerprint-region bands at 1246 and 1086 cm-1 support heteroatom-containing linkages, especially C-O and/or C-N.
  4. The leading library candidates collectively suggest heteroatom-rich organic chemistry, including amine- and ether-containing materials.
  5. The measured spectrum shows a broad band at 3280 cm-1, consistent with hydroxyl and/or amine-containing material.
  6. Aliphatic C-H stretching is supported by the 2922 and 2853 cm-1 bands.
  7. The 1246 and 1086 cm-1 bands support oxygen- and/or nitrogen-containing single-bond functionality such as C-O or C-N linkages.
  8. Bands at 826 and 873 cm-1 are consistent with substituted ring or out-of-plane deformation features, but are not specific enough on their own to define the material.
  9. The library top hit is retained only as the nearest database entry, not as a confirmed identification, because the similarity values are uniformly 0.000 and the broader candidate list is chemically inconsistent.
Limitations

Evidence that limits the conclusion

  • The proposed library entity Poly(ethylenimine),epichlorohydrin modified is not directly supported by a distinctive confirming band pattern in the provided evidence.
  • The top-15 library candidates include chemically diverse materials, including polyamines, polyethers, siloxane-graft materials, carbohydrates, and sulfur-containing aromatic dyes, which weakens any narrow assignment.
  • The library consensus phrase sulfur heterocycle / methyl is not securely established by the sample peaks alone, because the measured spectrum does not show a sufficiently specific aromatic sulfur-containing pattern.
  • The 1635 cm-1 band is non-specific and could reflect ring vibration, unsaturation, amine-associated absorption, or adsorbed water contribution.
  • The 826 and 873 cm-1 bands suggest substitution or ring-related features, but they do not uniquely distinguish sulfur heterocycles from other substituted organic structures.
  • Without stronger match quality or reference confirmation, it remains unclear whether the sample is primarily an amine-rich polymer, ether-rich polymer, or another oxygen/nitrogen-containing organic material.
Recommendation

Suggested next verification

  • Acquire a higher-quality repeat FTIR spectrum with baseline correction and stronger signal in the 1800-600 cm-1 region to refine the fingerprint assignment.
  • Check whether the 3280 and 1635 cm-1 bands decrease after drying; that would help determine whether adsorbed water is contributing to those features.
  • Compare the sample directly against authenticated spectra of Poly(ethylenimine), poly(ethylene oxide), and epichlorohydrin-modified polyamine materials, since these are among the nearest library directions.
  • Use complementary elemental analysis or EDS/XPS to test for sulfur, chlorine, and silicon, which would quickly exclude several of the chemically diverse library candidates.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1086 1.00 - - - -
2 · 826 0.67 - - - -
3 · 873 0.66 - - - -
4 · 1415 0.59 - - - -
5 · 1246 0.52 - - - -
6 · 1635 0.49 - - - -
7 · 1508 0.41 - - - -
8 · 2922 0.40 - - - -
9 · 3280 0.34 - - - -
10 · 2853 0.31 - - - -
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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