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oxygenated aliphatic ether material, possibly polyether-like or glycol-ether-like

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結果番号: 20250602120435185165783 所有者: publicuser コメント: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250602120435185165783 Date: 2025-06-02 17:07:30 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

oxygenated aliphatic ether material, possibly polyether-like or glycol-ether-like

General assessment
-
#74696 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Top-15 library consensus points to methyl / oxygen chemistry.
  2. Several leading candidates are polyethers or glycol ethers, including Poly(ethylene glycol methyl ether), Poly(ethylene oxide), and methoxyethoxy/ethoxyethoxy compounds.
  3. The 1093 cm-1 band is consistent with prominent C-O stretching expected for ether-rich materials.
Main limitation

A distinct band at 1728 cm-1 suggests a carbonyl group, which is not a characteristic identifying feature of simple Poly(ethylene glycol methyl ether) or Poly(ethylene oxide).

Evidence & interpretation
Evidence

Key evidence

ライブラリリードマッチ
Poly(ethylene glycol methyl ether) #74696 | match 0.0%
材料の方向性
oxygenated aliphatic ether material, possibly polyether-like or glycol-ether-like The FTIR pattern is most consistent with an oxygen-containing aliphatic material dominated by C-O bonding, with a broad direction toward a polyether-like or glycol-ether-like composition rather than a firm identification as a specific named compound. The leading library hit is Poly(ethylene glycol methyl ether), and the top-ranked library pattern is largely populated by ether-rich oxygenated molecules, but the overall match strength is extremely weak and there is no direct literature confirmation for this sample. The observed bands at 1093 and 1247 cm-1 support substantial C-O single-bond character, while 2867 and 1450 cm-1 are compatible with aliphatic C-H. However, the band at 1728 cm-1 indicates a carbonyl-containing component that is not well explained by a simple polyethylene glycol methyl ether assignment, so the safest conclusion is a broader oxygenated ether-containing material direction.
Support

Evidence supporting the conclusion

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

  1. The FTIR pattern is most consistent with an oxygen-containing aliphatic material dominated by C-O bonding, with a broad direction toward a polyether-like or glycol-ether-like composition rather than a firm identification as a specific named compound. The leading library hit is Poly(ethylene glycol methyl ether), and the top-ranked library pattern is largely populated by ether-rich oxygenated molecules, but the overall match strength is extremely weak and there is no direct literature confirmation for this sample. The observed bands at 1093 and 1247 cm-1 support substantial C-O single-bond character, while 2867 and 1450 cm-1 are compatible with aliphatic C-H. However, the band at 1728 cm-1 indicates a carbonyl-containing component that is not well explained by a simple polyethylene glycol methyl ether assignment, so the safest conclusion is a broader oxygenated ether-containing material direction.
  2. Top-15 library consensus points to methyl / oxygen chemistry.
  3. Several leading candidates are polyethers or glycol ethers, including Poly(ethylene glycol methyl ether), Poly(ethylene oxide), and methoxyethoxy/ethoxyethoxy compounds.
  4. The 1093 cm-1 band is consistent with prominent C-O stretching expected for ether-rich materials.
  5. The 1247 cm-1 band also supports oxygenated aliphatic C-O bonding.
  6. The 2867 and 1450 cm-1 bands are compatible with alkyl C-H vibrations in an aliphatic oxygenated matrix.
  7. The strongest common pattern across the leading library candidates is oxygenated aliphatic chemistry with repeated ether-type C-O linkages and alkyl groups.
  8. Bands at 1093 and 1247 cm-1 are characteristic of strong C-O stretching in ethers or related oxygenated aliphatic materials.
  9. Bands at 2867 and 1450 cm-1 support the presence of aliphatic C-H from methyl and/or methylene groups.
  10. The leading library name is Poly(ethylene glycol methyl ether), but the reported similarity values are all 0.000, so the retrieval does not provide a reliable compound-level match.
  11. The 1728 cm-1 band indicates a carbonyl-containing feature that pushes the interpretation beyond a simple unsubstituted polyether.
Limitations

Evidence that limits the conclusion

  • A distinct band at 1728 cm-1 suggests a carbonyl group, which is not a characteristic identifying feature of simple Poly(ethylene glycol methyl ether) or Poly(ethylene oxide).
  • All listed library similarities are 0.000, which means the retrieval is not strong enough for a secure entity-level assignment.
  • Minor library candidates include chemically different species such as silicate and halogenated compounds, indicating poor library specificity.
  • It remains unclear whether the carbonyl band belongs to the main material, an end group, an additive, a degradation product, or a mixture component.
  • The current peak set is too sparse to distinguish confidently between a polymeric polyether, a lower-mass glycol ether, or a more complex oxygenated formulation.
  • Because the library match is weak and literature support is absent, the named library hit should be treated only as a tentative nearest neighbor, not a confirmed identification.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum over the full range with improved signal quality, especially to confirm the carbonyl region near 1728 cm-1 and the C-O fingerprint region from about 1000 to 1300 cm-1.
  • Check for the presence or absence of a broad O-H band in the 3200-3600 cm-1 region to distinguish hydroxylated glycol ethers from capped polyethers.
  • Compare the sample against authenticated spectra of Poly(ethylene glycol methyl ether), Poly(ethylene oxide), and representative glycol ethers under the same measurement conditions.
  • If available, use complementary GC-MS or LC-MS for lower-mass glycol ethers, or NMR and SEC/GPC if a polymeric polyether is suspected.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1093 1.00 - - - -
2 · 1728 0.38 - - - -
3 · 947 0.35 - - - -
4 · 848 0.31 - - - -
5 · 1247 0.28 - - - -
6 · 2867 0.27 - - - -
7 · 1348 0.22 - - - -
8 · 1450 0.20 - - - -
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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