RESULT PAGE

low-confidence oxygenated aliphatic material, possibly a simple alcohol or alcohol-containing mixture

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Result No.: 20250422230458249421970 Owner: publicuser Comments: 1
FTIR Analysis Report

low-confidence oxygenated aliphatic material, possibly a simple alcohol or alcohol-containing mixture

Sample & Measurement Parameters

Report No. 20250422230458249421970
Date 2025-04-22 22:36:17
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The present FTIR pattern does not support a firm material identification from the library search. Although the nearest library entry is methanol, the retrieval confidence is effectively zero and the broader Top-15 set is chemically inconsistent. The observed spectrum is more safely described as a low-confidence oxygenated aliphatic material, possibly a simple alcohol or alcohol-containing mixture, based on an O-H stretching band near 3363 cm-1, strong C-O region absorptions at 1020-1081 cm-1, and aliphatic C-H stretching near 2980 cm-1. A band near 1652 cm-1 suggests either absorbed water, hydrogen-bonding effects, or an additional unsaturated or impurity-related contribution, which prevents a narrow assignment

Detailed interpretation

  • Top library match: methanol #52315
  • The leading library assignment to methanol is not directly reliable because its similarity score is zero.
  • The Top-15 candidates are chemically mixed, including chlorinated hydrocarbons, phosphorus compounds, fluorosilane, hydrocarbon, and alcohol-like structures, S-O the retrieval does not converge on one defensible substance.
  • The spectrum does not provide clear support for several functionalities implied by other top candidates, such as strong halogenated-polymer or phosphorus-specific assignments.
  • The 1652 cm-1 band remains ambiguous and could indicate moisture, hydrogen bonding, or an additional component.
  • Without stronger match quality or corroborating reference evidence, the sample cannot be safely reduced to a single entity-level identification.
  • The current evidence does not distinguish well between a neat small alcohol, an alcohol-containing formulation, or a mixed oxygenated aliphatic sample.

Recommended next steps: Recollect the FTIR spectrum after careful drying and background correction to test whether the 1652 cm-1 band is due to absorbed water. Compare the sample against authenticated spectra of methanol and other low-molecular-weight alcohols under the same measurement conditions, focusing on the O-H band shape and the 1020-1081 cm-1 C-O region. Use GC-MS or headspace GC-MS if the sample is volatile, since that would quickly confirm or exclude a simple alcohol such as methanol. If the sample is a mixture or formulation, complementary NMR or targeted chromatography would help determine whether the hydroxyl-bearing component is the major constituent or only a minor additive.

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 · 1020 1.00 - - -
2 · 1037 0.75 - - -
3 · 3363 0.30 - - -
4 · 1061 0.26 - - -
5 · 873 0.25 - - -
6 · 1081 0.22 - - -
7 · 2980 0.15 - - -
8 · 1385 0.12 - - -
9 · 1652 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250422230458249421970 2025-04-22 22:36:17
Discussion

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