RESULT PAGE

oxygenated aliphatic organic material with C-O bonding and probable hydroxyl or ether functionality

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Result No.: 20250628161834444728332 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygenated aliphatic organic material with C-O bonding and probable hydroxyl or ether functionality

Sample & Measurement Parameters

Report No. 20250628161834444728332
Date 2025-06-28 08:20:09
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The library top hit is 2-Bromo-1,1-diethoxyethane, but the retrieval is not reliable enough for a compound-level assignment because all reported library similarities are 0.000 and no direct or related literature evidence independently supports that identity. The measured spectrum is more safely described as an oxygenated aliphatic organic material showing strong C-O stretching bands and a high-wavenumber band consistent with hydroxyl-containing and/or ether-containing chemistry

Detailed interpretation

  • Top library match: 2-Bromo-1,1-diethoxyethane #382
  • The observed 3276 cm-1 band is not an especially good fit for a narrow assignment to a simple acetal/haloacetal unless hydrogen bonding, impurity, or moisture is involved.
  • No clear identifying band set specifically confirming brominated ethoxy acetal chemistry is provided.
  • The present evidence does not distinguish confidently between alcohol-rich, ether-rich, acetal-like, or mixed oxygenated aliphatic materials.
  • The significance of the 1639 cm-1 band remains unclear.
  • The low-wavenumber 661 cm-1 feature is too non-specific to prove halogen substitution.
  • Because the reference library comparison is uniformly weak, the top hit should be treated only as a tentative nearest library name, not as a confirmed material identity.

Recommended next steps: Recollect the FTIR spectrum after careful drying or purging to determine whether the 3276 and 1639 cm-1 bands arise from moisture; this is important for deciding between hydroxyl-containing material and a more purely ether/acetal-like material. Inspect the sample by ATR-FTIR and, if possible, transmission FTIR over repeat runs to confirm whether the 1026-1158 cm-1 band pattern is stable and intrinsic to the sample. Use GC-MS or LC-MS if the sample is a small molecule or mixture; this would quickly test whether the library top name 2-Bromo-1,1-diethoxyethane is chemically plausible. If bromine is specifically suspected, confirm with elemental analysis such as XRF, EDS, or MS isotopic pattern inspection rather than relying on the 661 cm-1 band alone.

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 · 1026 1.00 - - -
2 · 1052 0.91 - - -
3 · 1104 0.55 - - -
4 · 3276 0.41 - - -
5 · 661 0.29 - - -
6 · 1158 0.28 - - -
7 · 1314 0.27 - - -
8 · 2897 0.24 - - -
9 · 1426 0.17 - - -
10 · 1639 0.15 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250628161834444728332 2025-06-28 08:20:09
Discussion

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