RESULT PAGE

heteroaromatic carbonyl-containing organic material, possibly sulfur-containing

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Result No.: 20250807085124539752668 Owner: publicuser Comments: 1
FTIR Analysis Report

heteroaromatic carbonyl-containing organic material, possibly sulfur-containing

Sample & Measurement Parameters

Report No. 20250807085124539752668
Date 2025-08-07 08:22:04
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline ALS
Confidence 0%

Identification Result

0%

The current FTIR result does not support a firm compound-level identification. The library Top-1 hit is 1-(3-methylthiophen-2-yl)ethanone, but all reported library similarities are 0.000 and neither direct reference evidence nor related literature provides confirming support. The spectrum shows a band near 1648 cm-1 consistent with a conjugated carbonyl or other unsaturated functionality, multiple bands in the 666-806 cm-1 region that can be compatible with substituted aromatic or heteroaromatic ring out-of-plane modes, and broad high-wavenumber absorption at 3195-3409 cm-1 indicating hydrogen-bonded O-H and/or N-H character. Because these features do not securely match the specific Top-1 structure and the broad O-H/N-H region is not naturally explained by that candidate alone, the most chemically supportable conclusion is a broader heteroaromatic carbonyl-containing organic material, possibly sulfur-containing, rather than a confirmed single library entity

Library Comparison

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Library Search Results — Top 15 Candidates

Rank Match % Compound Formula / SMILES Library Preview Action
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Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Confidence
1 · 1648 1.00 - - -
2 · 1039 0.66 - - -
3 · 1182 0.46 - - -
4 · 1443 0.42 - - -
5 · 1290 0.23 - - -
6 · 1116 0.20 - - -
7 · 1539 0.19 - - -
8 · 666 0.18 - - -
9 · 2923 0.18 - - -
10 · 2029 0.17 - - -
11 · 1388 0.16 - - -
12 · 769 0.14 - - -
13 · 1973 0.14 - - -
14 · 3195 0.14 - - -
15 · 1941 0.13 - - -
16 · 2003 0.13 - - -
17 · 2191 0.13 - - -
18 · 3749 0.13 - - -
19 · 744 0.13 - - -
20 · 1862 0.13 - - -
21 · 2167 0.13 - - -
22 · 698 0.13 - - -
23 · 2047 0.13 - - -
24 · 3409 0.12 - - -
25 · 717 0.12 - - -
26 · 806 0.12 - - -
27 · 2206 0.11 - - -
28 · 3837 0.11 - - -
29 · 2219 0.11 - - -
30 · 2155 0.11 - - -
31 · 2237 0.11 - - -
32 · 2144 0.11 - - -
33 · 2101 0.10 - - -
34 · 756 0.10 - - -
35 · 2119 0.10 - - -
36 · 3336 0.10 - - -
37 · 785 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250807085124539752668 2025-08-07 08:22:04
Discussion

Comments and follow-up evidence

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The above shows the FTIR analysis results of a sp file uploaded by a user from Denmark. The original image and extracted CSV file are displayed below.1.png1.CSV

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