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oxygenated aliphatic ether material with methyl-substituted polyether character

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Nəticə №: 20250529151949300480701 Sahib: publicuser Şərhlər: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250529151949300480701 Date: 2025-05-29 20:21:12 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Choose matching result groups:
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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 with methyl-substituted polyether character

General assessment
-
#74696 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Top library candidates repeatedly feature oxygen-containing aliphatic ethers and polyether-type structures.
  2. The 1093 cm-1 band is characteristic of strong C-O stretching in ether-containing materials.
  3. The 1247 cm-1 band is compatible with alkyl ether C-O-C vibrations.
Main limitation

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

Evidence & interpretation
Evidence

Key evidence

Kitabxana uyğunluğu
Poly(ethylene glycol methyl ether) #74696 | match 0.0%
Material istiqaməti
oxygenated aliphatic ether material with methyl-substituted polyether character The nearest library name is Poly(ethylene glycol methyl ether), but the match quality is very weak and cannot support a firm compound-level assignment. The observed FTIR pattern is more safely described as an oxygenated aliphatic ether material with methyl-substituted polyether character, based on a strong C-O-rich fingerprint region and mainly aliphatic C-H features. A narrow assignment to Poly(ethylene glycol methyl ether) is limited by the absence of stronger corroborating reference evidence and by the presence of a 1728 cm-1 band, which suggests an additional carbonyl-containing component or modification not explained by a simple polyether alone.
Support

Evidence supporting the conclusion

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

  1. The nearest library name is Poly(ethylene glycol methyl ether), but the match quality is very weak and cannot support a firm compound-level assignment. The observed FTIR pattern is more safely described as an oxygenated aliphatic ether material with methyl-substituted polyether character, based on a strong C-O-rich fingerprint region and mainly aliphatic C-H features. A narrow assignment to Poly(ethylene glycol methyl ether) is limited by the absence of stronger corroborating reference evidence and by the presence of a 1728 cm-1 band, which suggests an additional carbonyl-containing component or modification not explained by a simple polyether alone.
  2. Top library candidates repeatedly feature oxygen-containing aliphatic ethers and polyether-type structures.
  3. The 1093 cm-1 band is characteristic of strong C-O stretching in ether-containing materials.
  4. The 1247 cm-1 band is compatible with alkyl ether C-O-C vibrations.
  5. The 2867 and 1450 cm-1 bands are consistent with aliphatic methyl/methylene groups, fitting an alkoxy or polyether-like material.
  6. Lower-frequency bands at 947 and 848 cm-1 are compatible with ether-containing aliphatic frameworks, although not uniquely identifying.
  7. The spectrum shows bands at 1093 and 1247 cm-1 that are consistent with C-O and C-O-C stretching in ether-rich materials.
  8. Bands at 2867 and 1450 cm-1 support predominantly aliphatic hydrocarbon content, including methyl or methylene groups.
  9. The Top-15 library pattern is dominated by polyether-like and alkoxy compounds, including Poly(ethylene glycol methyl ether), Poly(ethylene oxide), and several methoxyethoxy/ethoxyethoxy materials, which collectively support an oxygenated ether-rich direction.
  10. The 1728 cm-1 band indicates a carbonyl feature that is not a defining expectation for a simple polyethylene glycol methyl ether material and therefore limits a direct entity conclusion.
Limitations

Evidence that limits the conclusion

  • All listed library similarities are effectively zero, so the retrieval does not provide strong discriminating support for a specific named material.
  • The 1728 cm-1 carbonyl band is a limiting feature for assigning the sample as simple Poly(ethylene glycol methyl ether) without qualification.
  • It remains unclear whether the carbonyl band at 1728 cm-1 belongs to the main material, an end group, an oxidized fraction, an ester-containing additive, or a mixture component.
  • The present evidence supports a broad oxygenated ether/polyether direction more strongly than a single discrete library entity.
  • Without stronger matching bands or corroborating references, the chain length, end-group identity, and sample purity cannot be established from this FTIR result alone.
Recommendation

Suggested next verification

  • Re-examine the sample for the presence and intensity of a broad O-H band in the 3200-3600 cm-1 region to distinguish hydroxyl-terminated polyether material from a fully etherified analogue.
  • Check for additional carbonyl-associated bands near 1170-1300 cm-1 and 1735-1750 cm-1 to determine whether an ester-containing additive or oxidation product is present.
  • Compare against authenticated FTIR references for Poly(ethylene glycol methyl ether), Poly(ethylene oxide), and common esterified polyether materials under the same sampling conditions.
  • Use complementary GC-MS or LC-MS for lower-molecular-weight material, or NMR if feasible, to verify whether the sample is a single methyl-terminated polyether or a carbonyl-containing mixture.
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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