RESULT PAGE

oxygen-rich aliphatic alcohol or polyol-type material, possibly containing ether or acetal linkages

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Result No.: 20250708003907320500970 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygen-rich aliphatic alcohol or polyol-type material, possibly containing ether or acetal linkages

Sample & Measurement Parameters

Report No. 20250708003907320500970
Date 2025-07-08 07:40:49
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR pattern supports an oxygen-rich organic material dominated by hydroxyl functionality, with C-O stretching consistent with alcohol, polyol, and possibly ether or acetal-type linkages. Although the nearest library entry is [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol, the library match quality is effectively non-discriminating and no direct or related literature evidence narrows the assignment to that specific compound. A broader alcohol/polyol-type material direction is therefore the most chemically supportable conclusion for this sample

Detailed interpretation

  • Top library match: [(4R,5R)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol #314
  • The best library hit has zero reported similarity, S-O the named compound is not specifically supported by a meaningful spectral match.
  • No related-literature evidence provides an independent narrowing of the material identity.
  • The reported peaks do not include clear identifying bands that would securely require the phenyl-containing top candidate over simpler polyols or cyclic oxygenates.
  • The current evidence cannot distinguish between a simple diol/polyol, a cyclic polyol, or an ether/acetal-containing oxygenated compound.
  • If aromatic content is present, it is not demonstrated strongly enough here to justify the specific phenyl-substituted library candidate.
  • The absence of stronger discriminating features leaves multiple oxygen-rich alcohol-type structures plausible.

Recommended next steps: Re-run FTIR with full peak picking and baseline review, especially in the 1500-700 cm-1 region, to look for additional distinguishing fingerprint bands. Check specifically for aromatic ring bands near 1600, 1500, 760, and 700 cm-1 if the phenyl-containing library candidate is being considered. Inspect for any carbonyl absorption near 1750-1650 cm-1 to rule in or rule out ester- or acetate-containing alternatives among lower-ranked library candidates. If identification is important, confirm with complementary methods such as GC-MS or LC-MS for molecular composition, or NMR to distinguish simple polyols from cyclic acetal/ether-containing compounds.

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 · 1023 1.00 - - -
2 · 3307 0.26 - - -
3 · 2943 0.21 - - -
4 · 2831 0.19 - - -
5 · 1449 0.14 - - -
6 · 1116 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250708003907320500970 2025-07-08 07:40:49
Discussion

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