RESULT PAGE

oxygenated organic material with alcohol and ether-like features, possibly containing unsaturation or an aromatic ring

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Result No.: 20250628162220015704037 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygenated organic material with alcohol and ether-like features, possibly containing unsaturation or an aromatic ring

Sample & Measurement Parameters

Report No. 20250628162220015704037
Date 2025-06-28 08:24:29
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR search does not support a firm compound-level identification for this sample. The nearest library hit is (E)-3-phenylbut-2-en-1-ol, but all reported library similarities are 0.000 and no direct or related literature evidence independently supports that exact assignment. The observed spectrum is more safely described as an oxygenated organic material showing O-H absorption, strong C-O region bands, aliphatic C-H stretching, and a band near 1630 cm-1 that may reflect C=C unsaturation and/or adsorbed water. Taken together, the current evidence supports a broad direction of an alcohol- and/or ether-containing organic material rather than a defensible specific entity

Detailed interpretation

  • Top library match: (E)-3-phenylbut-2-en-1-ol #414
  • The library match quality is effectively absent: the reported top hit and all listed alternatives have similarity values of 0.000.
  • The candidate list is chemically heterogeneous, including nitrile, bromo acetal, aminal/acetal, nitro aromatic, polymeric, ester, and polyether entries, which argues against a narrow structure claim from library search alone.
  • The current peak set does not provide a distinctive combination that securely requires the exact top library compound.
  • It remains unclear whether the 1630 cm-1 band is due to true C=C unsaturation, aromatic conjugation, or absorbed water.
  • Possible aromatic character is not securely established from the present peak list alone.
  • The relative importance of free versus hydrogen-bonded O-H cannot be determined confidently without fuller spectral context and sample handling details.
  • The sample could be a small oxygenated organic molecule, an oxygen-containing mixture, or a material with hydroxylated/polyether-like components.

Recommended next steps: Recollect the FTIR spectrum after careful drying or purging to test whether the 3333 and 1630 cm-1 features are influenced by moisture. Inspect the full spectrum for clearer aromatic ring bands near 1600-1500 cm-1 and out-of-plane C-H patterning to evaluate possible phenyl substitution. Check for a broad versus sharp O-H profile using higher-quality baseline correction to distinguish hydrogen-bonded alcohol from trace water or surface hydroxyl contributions. If available, confirm the oxygenated functionality with complementary Raman, GC-MS, or NMR, especially to determine whether the sample is a single alcohol/ether compound or a mixture.

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 0.87 - - -
3 · 1107 0.49 - - -
4 · 1314 0.41 - - -
5 · 1158 0.38 - - -
6 · 664 0.33 - - -
7 · 703 0.26 - - -
8 · 1426 0.25 - - -
9 · 1630 0.23 - - -
10 · 2900 0.19 - - -
11 · 3333 0.18 - - -
12 · 1204 0.14 - - -
13 · 892 0.13 - - -
14 · 799 0.12 - - -
15 · 2052 0.12 - - -
16 · 1908 0.11 - - -
17 · 2011 0.11 - - -
18 · 2167 0.11 - - -
19 · 3743 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250628162220015704037 2025-06-28 08:24:29
Discussion

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