RESULT PAGE

oxygenated organic material with hydroxyl and ether or ester character

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Result No.: 20250623080517290849173 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygenated organic material with hydroxyl and ether or ester character

Sample & Measurement Parameters

Report No. 20250623080517290849173
Date 2025-06-23 06:07:52
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The library search does not support a firm material identification for this sample. Although 3-Ethoxyphenol is the nearest named library entry, all reported library similarities are 0.000 and no direct or related literature evidence narrows the assignment. The measured spectrum does support an oxygenated organic material, based on broad to sharp O-H stretching in the 3446-3903 cm-1 region, strong C-H stretching at 2857, 2927, and 2968 cm-1, a prominent carbonyl band at 1728 cm-1, and multiple C-O region bands near 1017, 1099, and 1223 cm-1. Because these features indicate mixed oxygen-containing functionality and do not specifically support the exact library hit, the most defensible conclusion is a broader oxygenated organic direction rather than an entity-level assignment

Detailed interpretation

  • Top library match: 3-Ethoxyphenol #392
  • The leading library hit cannot be treated as a reliable identification because its reported similarity is 0.000 and the remaining top candidates are also at 0.000.
  • The spectrum contains a clear carbonyl band at 1728 cm-1, which limits support for assigning the sample specifically as 3-Ethoxyphenol.
  • It remains uncertain whether the O-H features arise from an intrinsic hydroxyl-containing compound, adsorbed moisture, inorganic hydroxyls, or a mixture.
  • The available evidence does not distinguish confidently between a small oxygenated organic compound, an oxidized additive, or an oxygenated polymeric material.
  • The aromatic or unsaturated character is not strong enough here to confirm a phenolic compound specifically.

Recommended next steps: Repeat the FTIR after careful drying or mild heating under vacuum or dry nitrogen to test whether the high-wavenumber O-H features decrease, which would help separate absorbed moisture from intrinsic hydroxyl groups. Inspect the sample with ATR-FTIR and, if possible, compare replicate spots to determine whether the spectrum reflects a homogeneous material or a surface mixture. Use complementary analysis such as GC-MS for volatile or extractable components, or Py-GC-MS if the sample may be polymeric, to determine whether a discrete oxygenated compound or a polymer/additive mixture is present. If distinguishing ester versus phenolic or ether functionality is important, examine the 1800-1500 cm-1 and 1300-1000 cm-1 regions at higher signal quality and compare against targeted reference spectra for oxygenated organics with carbonyl and C-O groups.

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 · 1099 1.00 - - -
2 · 1223 0.94 - - -
3 · 1017 0.79 - - -
4 · 668 0.73 - - -
5 · 1533 0.67 - - -
6 · 735 0.65 - - -
7 · 815 0.58 - - -
8 · 1728 0.56 - - -
9 · 1310 0.41 - - -
10 · 1412 0.38 - - -
11 · 1374 0.38 - - -
12 · 1456 0.34 - - -
13 · 951 0.33 - - -
14 · 2927 0.32 - - -
15 · 1596 0.26 - - -
16 · 2968 0.25 - - -
17 · 1558 0.24 - - -
18 · 2857 0.23 - - -
19 · 1339 0.22 - - -
20 · 2358 0.20 - - -
21 · 1489 0.19 - - -
22 · 1653 0.19 - - -
23 · 3446 0.18 - - -
24 · 3525 0.17 - - -
25 · 3649 0.17 - - -
26 · 3853 0.17 - - -
27 · 3750 0.17 - - -
28 · 3675 0.17 - - -
29 · 1646 0.17 - - -
30 · 3734 0.16 - - -
31 · 3628 0.16 - - -
32 · 2341 0.15 - - -
33 · 1635 0.15 - - -
34 · 3618 0.15 - - -
35 · 3566 0.15 - - -
36 · 3820 0.15 - - -
37 · 3838 0.15 - - -
38 · 3689 0.14 - - -
39 · 3587 0.13 - - -
40 · 3801 0.13 - - -
41 · 3710 0.13 - - -
42 · 3869 0.13 - - -
43 · 1576 0.12 - - -
44 · 3903 0.12 - - -
45 · 3885 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250623080517290849173 2025-06-23 06:07:52
Discussion

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