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heteroatom-containing organic material with possible amine/alcohol character

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Result No.: 20250421190352961844422 Owner: publicuser Comments: 1
FTIR Analysis Report

heteroatom-containing organic material with possible amine/alcohol character

Sample & Measurement Parameters

Report No. 20250421190352961844422
Date 2025-04-22 03:10:01
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline Disabled
Library match 0%

Identification Result

0%

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

Detailed interpretation

  • Top library match: Poly(ethylenimine),epichlorohydrin modified #7725
  • All listed library similarities are 0.000, S-O 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.

Recommended next steps: 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.

Library Comparison

Match group:
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 · 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 — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250421190352961844422 2025-04-22 03:10:01
Discussion

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