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nitrogen-containing aliphatic polymer with N-H functionality, possibly alongside ether or alcohol-type C-O bonding

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Ergebnis Nr.: 20250603172018722796718 Besitzer: publicuser Kommentare: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250603172018722796718 Date: 2025-06-03 15:21:21 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

nitrogen-containing aliphatic polymer with N-H functionality, possibly alongside ether or alcohol-type C-O bonding

General assessment
-
#7725 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Top library candidate: Poly(ethylenimine),epichlorohydrin modified.
  2. Library-derived composition clues include N-H, nitrogen, C-N single bonds, and methyl/aliphatic character.
  3. 3294 cm-1 supports hydrogen-bonded N-H and possibly O-H functionality.
Main limitation

All listed library similarities are effectively 0.000, so the retrieval does not provide strong discriminating support for a specific named material.

Evidence & interpretation
Evidence

Key evidence

Bibliotheks-Haupttreffer
Poly(ethylenimine),epichlorohydrin modified #7725 | match 0.0%
Materialrichtung
nitrogen-containing aliphatic polymer with N-H functionality, possibly alongside ether or alcohol-type C-O bonding The library top hit is Poly(ethylenimine),epichlorohydrin modified, but the overall match strength is very weak and no direct or related literature evidence independently confirms that specific material. The observed FTIR pattern is more safely described as a nitrogen-containing aliphatic polymeric material showing an N-H/O-H stretching band near 3294 cm-1, aliphatic C-H bands at 2922 and 2853 cm-1, a band near 1645 cm-1 consistent with amine-associated bending and/or bound water contribution, and strong fingerprint-region absorption at 1226 and 1034 cm-1 that can fit C-N and/or C-O single-bond vibrations. Because the top-library pattern also includes poly(vinyl alcohol), poly(ethylene oxide), and epichlorohydrin/ethylene oxide-related polymers, the defensible conclusion is a broader amine-containing aliphatic polymer direction rather than a firm assignment to the named library compound.
Support

Evidence supporting the conclusion

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

  1. Top library candidate: Poly(ethylenimine),epichlorohydrin modified.
  2. Library-derived composition clues include N-H, nitrogen, C-N single bonds, and methyl/aliphatic character.
  3. 3294 cm-1 supports hydrogen-bonded N-H and possibly O-H functionality.
  4. 2922 and 2853 cm-1 support aliphatic C-H stretching.
  5. 1226 and 1034 cm-1 support heteroatom single-bond vibrations consistent with C-N and/or C-O functionality.
  6. The leading library set commonly contains oxygenated and/or amine-containing aliphatic polymer materials.
  7. The sample shows a broad high-wavenumber band at 3294 cm-1, supporting N-H and possibly overlapping O-H functionality.
  8. Bands at 2922 and 2853 cm-1 support a predominantly aliphatic hydrocarbon backbone or side-chain environment.
  9. The 1645 cm-1 band is compatible with amine-associated deformation and/or absorbed water, but it is not specific enough by itself to prove a particular polymer identity.
  10. Fingerprint-region bands at 1226 and 1034 cm-1 support single-bond heteroatom functionality such as C-N and/or C-O, which is consistent with several of the leading polymer candidates.
  11. The Top-15 library pattern clusters around amine-bearing or oxygenated aliphatic polymers, including Poly(ethylenimine),epichlorohydrin modified, poly(vinyl alcohol), poly(ethylene oxide), and poly(epichlorohydrin:ethylene oxide).
  12. Lower-wavenumber bands at 873 and 827 cm-1 are not sufficiently distinctive here to secure a unique structural assignment.
Limitations

Evidence that limits the conclusion

  • All listed library similarities are effectively 0.000, so the retrieval does not provide strong discriminating support for a specific named material.
  • No related-literature match was recovered to narrow the assignment.
  • The spectrum does not show enough uniquely identifying bands to distinguish confidently among amine-containing, alcohol-containing, and ether-containing aliphatic polymers represented in the top candidates.
  • The main uncertainty is whether the 3294 cm-1 band is dominated by N-H, O-H, or a mixture of both.
  • The 1645 cm-1 feature may include contributions from adsorbed water, which limits functional-group specificity.
  • The current evidence does not establish whether epichlorohydrin-derived, poly(vinyl alcohol)-like, or poly(ethylene oxide)-like structural elements are actually present versus only broadly similar in the library.
  • A specific entity-level identification cannot be supported from the present FTIR evidence alone.
Recommendation

Suggested next verification

  • Re-run the FTIR spectrum with improved background correction and drying of the sample to assess whether the 3294 and 1645 cm-1 bands decrease, which would help separate true N-H/O-H functionality from moisture effects.
  • Inspect the 1200-900 cm-1 region at higher spectral quality, since resolving the relative strengths and shapes of the 1226 and 1034 cm-1 bands may help distinguish C-N-rich from C-O-rich polymers.
  • If available, compare against authenticated spectra of Poly(ethylenimine),epichlorohydrin modified, poly(vinyl alcohol), and poly(ethylene oxide) measured under the same conditions.
  • Use a complementary method such as elemental analysis or XPS to test for nitrogen; confirmation of nitrogen would strongly favor the amine-containing polymer direction over oxygen-only candidates such as poly(vinyl alcohol) or poly(ethylene oxide).
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1034 1.00 - - - -
2 · 827 0.58 - - - -
3 · 873 0.55 - - - -
4 · 1412 0.53 - - - -
5 · 1226 0.46 - - - -
6 · 1509 0.40 - - - -
7 · 1645 0.39 - - - -
8 · 2922 0.31 - - - -
9 · 3294 0.27 - - - -
10 · 2853 0.22 - - - -
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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