RESULT PAGE

oxygenated aromatic organic material with ether or alcohol functionality

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Result No.: 20250623143940123272531 Owner: Mainge Comments: 0
FTIR Analysis Report

oxygenated aromatic organic material with ether or alcohol functionality

Sample & Measurement Parameters

Report No. 20250623143940123272531
Date 2025-06-23 06:42:58
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline Disabled
Library match 0%

Identification Result

0%

The FTIR evidence does not support a firm assignment to the library top hit, 2-Bromo-1,1-diethoxyethane. Instead, the observed spectrum is more defensibly described as an oxygenated aromatic organic material containing ether and/or alcohol functionality. This direction is supported by an O-H or N-H stretching band near 3292 cm-1, strong C-O region absorptions at 1018, 1075, 1148, and 1284 cm-1, aromatic-ring bands at 1607 and 1518 cm-1, and an out-of-plane aromatic C-H band near 762 cm-1. The reference library comparison itself is extremely weak, with all reported similarities at 0.000 and no direct or related literature evidence narrowing the identification further

Detailed interpretation

  • Top library match: 2-Bromo-1,1-diethoxyethane #382
  • The assigned library hit, 2-Bromo-1,1-diethoxyethane, is a non-aromatic acetal-type molecule, but the sample shows aromatic-ring bands at 1607 and 1518 cm-1.
  • No clear evidence specifically supports a brominated compound; the spectrum does not provide characteristic identifying support for C-Br assignment here.
  • Library matching is not reliable in this case because the top candidate and all listed alternatives have reported similarity values of 0.000.
  • The broad 3292 cm-1 band could reflect an alcohol, phenol, absorbed moisture, or another hydrogen-bonded functionality, S-O the exact oxygenated group cannot be fixed from the current evidence alone.
  • The aromatic substitution pattern cannot be assigned confidently from the present peak list alone.
  • Because the library pattern is weak and chemically heterogeneous, the spectrum cannot be narrowed honestly to a single compound or specific commercial material.

Recommended next steps: Recollect the FTIR spectrum with full band shapes and baseline-corrected data to confirm whether the 3292 cm-1 feature is a true sample O-H band or environmental moisture. Check for repeatability of the aromatic bands at 1607, 1518, and 762 cm-1 to verify that the aromatic component is intrinsic to the sample. Acquire complementary Raman, GC-MS, or LC-MS data if the sample is a small molecule or mixture, since FTIR alone does not support the current top library identity. If this is a solid or formulated material, compare against reference spectra of oxygenated aromatic materials such as phenoxy-, aryl-ether-, or phenolic-containing compounds rather than relying on the present low-confidence 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 · 1018 1.00 - - -
2 · 1075 0.66 - - -
3 · 1148 0.47 - - -
4 · 3292 0.41 - - -
5 · 762 0.41 - - -
6 · 1370 0.32 - - -
7 · 1284 0.31 - - -
8 · 1607 0.27 - - -
9 · 2927 0.23 - - -
10 · 1518 0.16 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250623143940123272531 2025-06-23 06:42:58
Discussion

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