RESULT PAGE

oxygenated organic material with aliphatic C-H bands and possible hydroxyl-containing functionality

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Result No.: 20250416100608556693634 Owner: Kamila Comments: 0
FTIR Analysis Report

oxygenated organic material with aliphatic C-H bands and possible hydroxyl-containing functionality

Sample & Measurement Parameters

Report No. 20250416100608556693634
Date 2025-04-17 01:02:01
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The library top hit is boron; lithium; heptahydrate, but the match quality is effectively zero and the overall Top-15 pattern is internally inconsistent, so the spectrum does not support a firm material identification at the entity level. The observed bands are more consistent with a broad oxygenated organic material showing aliphatic C-H stretching, strong carbonyl absorption, and possible hydroxyl-containing functionality than with the named library compound

Detailed interpretation

  • Top library match: boron; lithium; heptahydrate #3119
  1. The library top hit is boron; lithium; heptahydrate, but the match quality is effectively zero and the overall Top-15 pattern is internally inconsistent, S-O the spectrum does not support a firm material identification at the entity level. The observed bands are more consistent with a broad oxygenated organic material showing aliphatic C-H stretching, strong carbonyl absorption, and possible hydroxyl-containing functionality than with the named library compound.
  • The top library entity, boron; lithium; heptahydrate, is not credibly supported by the measured spectrum because the retrieval similarity is 0.000 and the candidate list is chemically heterogeneous.
  • Top-15 candidates include unrelated boron salts, halogenated small molecules, polymers, and heterocyclic/aromatic compounds, which limits confidence in any narrow library-derived assignment.
  • A distinct band at 2119 cm⁻¹ is present but unexplained by the leading library direction, further arguing against a confident narrow identification.
  • The carbonyl pair at 1796/1727 cm⁻¹ suggests a specific sub-class may be present, but the current evidence does not securely distinguish among possible oxygenated carbonyl systems.
  • The high-wavenumber bands could reflect true hydroxyl groups, hydration, or surface moisture contamination.
  • The feature at 2119 cm⁻¹ may be instrumental, atmospheric, or due to a minor component; without confirmation it cannot be used reliably for assignment.
  • Because no direct literature match was recovered, the conclusion is limited to a broad chemically supported material direction rather than a discrete compound or product class.

Recommended next steps: Re-run the FTIR after careful drying or purge control to determine whether the 3442-3699 cm⁻¹ region is intrinsic hydroxyl functionality or environmental water. Inspect the carbonyl region at higher spectral quality to determine whether the 1796/1727 cm⁻¹ pair is reproducible and whether it matches anhydride-, carbonate-, or ester-like splitting behavior. Check the 2119 cm⁻¹ feature in a background-subtracted repeat measurement to determine whether it is a real sample band or an artifact. If identification is important, compare against targeted reference spectra for oxygenated aliphatic materials with strong carbonyl and C-O bands rather than relying on the present low-confidence broad library hit.

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 · 1420 1.00 - - -
2 · 952 0.71 - - -
3 · 1118 0.69 - - -
4 · 1727 0.64 - - -
5 · 868 0.63 - - -
6 · 1270 0.60 - - -
7 · 1070 0.52 - - -
8 · 690 0.46 - - -
9 · 1003 0.46 - - -
10 · 2921 0.45 - - -
11 · 2929 0.45 - - -
12 · 1030 0.43 - - -
13 · 2955 0.41 - - -
14 · 732 0.39 - - -
15 · 2857 0.29 - - -
16 · 3442 0.23 - - -
17 · 3536 0.18 - - -
18 · 2119 0.13 - - -
19 · 2324 0.13 - - -
20 · 1796 0.12 - - -
21 · 3699 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250416100608556693634 2025-04-17 01:02:01
Discussion

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