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oxygen-rich hydroxyl-containing organic material, consistent with a polyol or ether-alcohol type compound

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Nº do resultado: 20250623181214261327224 Proprietário: Mainge Comentários: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250623181214261327224 Date: 2025-06-23 10:21:09 Reported by: FTIR.fun Contact: [email protected]

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Top15

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
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Based on the library matches and evidence above.

Conclusion

oxygen-rich hydroxyl-containing organic material, consistent with a polyol or ether-alcohol type compound

General assessment
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#364 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Bands at 3245-3253 cm-1 support hydroxyl-containing functionality.
  2. The 1027 cm-1 band supports C-O bonding expected for alcohols, polyols, or ethers.
  3. Several top-ranked library candidates are oxygen-rich and hydroxyl-bearing, consistent with the sample's main observed features.
Main limitation

All listed library similarities are 0.000, so the top hit cannot be treated as a reliable direct identification.

Evidence & interpretation
Evidence

Key evidence

Correspondência principal da biblioteca
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol #364 | match 0.0%
Direção do material
oxygen-rich hydroxyl-containing organic material, consistent with a polyol or ether-alcohol type compound The FTIR evidence does not securely identify a specific library compound. The observed spectrum is most consistent with an oxygen-rich organic material containing hydroxyl functionality and likely C-O bonding, which is chemically compatible with a polyol or ether-alcohol type substance. The top library hit is 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol, but the retrieval confidence is effectively absent and no direct or related literature evidence narrows the assignment to that exact structure.
Support

Evidence supporting the conclusion

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

  1. Bands at 3245-3253 cm-1 support hydroxyl-containing functionality.
  2. The 1027 cm-1 band supports C-O bonding expected for alcohols, polyols, or ethers.
  3. Several top-ranked library candidates are oxygen-rich and hydroxyl-bearing, consistent with the sample's main observed features.
  4. A broad O-H stretching region is indicated by bands at 3245 and 3253 cm-1, supporting alcohol-like hydroxyl groups.
  5. The strong band at 1027 cm-1 is consistent with C-O stretching, which fits alcohol and/or ether bonding.
  6. Bands at 1220 and 1336 cm-1 are compatible with additional C-O and C-H deformation contributions often seen in oxygenated organic compounds.
  7. Features at 1607, 817, and 765 cm-1 suggest that other structural elements may be present, but they do not by themselves establish a unique molecular identity from the current evidence.
  8. The leading library candidates share a loose pattern of oxygenated compounds, many containing hydroxyl groups and C-O linkages, which supports a broad oxygen-rich alcohol/ether direction rather than a single exact match.
Limitations

Evidence that limits the conclusion

  • All listed library similarities are 0.000, so the top hit cannot be treated as a reliable direct identification.
  • The band at 1607 cm-1 is not explained by a simple aliphatic polyol alone and limits confidence in assigning the sample to a single narrow oxygenated structure.
  • The present spectrum supports hydroxyl and C-O functionality, but not a unique molecular framework.
  • It remains uncertain whether the sample is best described as a simple polyol, an ether-alcohol, a carbohydrate-like oxygenated compound, or a more complex oxygenated organic mixture.
  • Without stronger matching bands or corroborating reference evidence, the exact library candidate remains only a nominal nearest hit rather than a confirmed identification.
Recommendation

Suggested next verification

  • Recollect the FTIR spectrum with improved signal quality and baseline correction, especially across 3600-2800 cm-1 and 1800-600 cm-1, to better define the O-H envelope and fingerprint region.
  • Check for the presence or absence of carbonyl absorption near 1750-1650 cm-1 and aromatic C-H stretching near 3100-3000 cm-1 to narrow the oxygenated subclass.
  • Compare the sample against authentic spectra of the top library hit and other hydroxyl-rich standards such as polyols or carbohydrate-like materials.
  • Use a complementary method such as Raman, GC-MS, or LC-MS, depending on volatility and solubility, to distinguish between a discrete polyol and a more complex oxygenated material.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1027 1.00 - - - -
2 · 1220 0.62 - - - -
3 · 765 0.56 - - - -
4 · 1607 0.49 - - - -
5 · 1336 0.48 - - - -
6 · 3245 0.48 - - - -
7 · 3253 0.48 - - - -
8 · 817 0.47 - - - -
9 · 1444 0.43 - - - -
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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