RESULT PAGE

ester-containing organic material, possibly with an aromatic component

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Result No.: 20250617111632869417860 Owner: publicuser Comments: 0
FTIR Analysis Report

ester-containing organic material, possibly with an aromatic component

Sample & Measurement Parameters

Report No. 20250617111632869417860
Date 2025-06-17 09:18:08
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR pattern supports an ester-containing organic material and is compatible with, but does not securely identify, an aromatic ester. The strongest sample evidence is the prominent carbonyl band at 1711 cm⁻¹ together with multiple C–O stretching bands near 1268, 1247, 1100, and 1017 cm⁻¹, plus aliphatic C–H stretching at 2918 and 2850 cm⁻¹. Several top library candidates also contain ester and/or aromatic motifs, but the retrieval itself is very weak because all listed similarities are 0.000 and no direct or related literature evidence narrows the assignment further. The current evidence therefore supports a broadened ester-based material direction rather than a firm identification as the named library hit

Detailed interpretation

  • Top library match: diethyl benzene-1,4-dicarboxylate #467
  • The reference library comparison is not discriminating: all reported candidate similarities are 0.000, S-O the named top hit is not strongly supported as a unique match.
  • The candidate list contains chemically diverse structures, including sulfur-containing, halogenated, ketone, alcohol, and polymer entries, which limits confidence in any single narrow assignment.
  • The present peak list supports an ester-containing material, but it does not securely distinguish between an aliphatic ester, an aromatic ester, or a mixture containing ester functionality.
  • Possible aromatic participation is suggested by the lower-frequency fingerprint features and by the general library pattern, but this remains an inference rather than a direct confirmation.
  • A firm assignment to diethyl benzene-1,4-dicarboxylate is not justified from the current evidence packet alone.

Recommended next steps: Verify whether aromatic ring stretching bands are present in the original spectrum near about 1600-1500 cm⁻¹; clear aromatic bands would strengthen an aromatic ester direction. Inspect the full spectrum for additional ester-characteristic intensity relationships, especially the relative strength and shape of the 1268-1017 cm⁻¹ C–O region. Check for any broad O–H or N–H absorption above 3000 cm⁻¹ in the raw spectrum; their absence would better support a simple ester assignment. If sample amount permits, confirm composition with GC-MS or LC-MS to determine whether the material is a discrete ester such as the library candidate or a more complex 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 · 725 1.00 - - -
2 · 1100 0.74 - - -
3 · 1711 0.66 - - -
4 · 1268 0.61 - - -
5 · 1017 0.57 - - -
6 · 1247 0.54 - - -
7 · 666 0.31 - - -
8 · 934 0.31 - - -
9 · 873 0.28 - - -
10 · 1396 0.20 - - -
11 · 2918 0.16 - - -
12 · 1446 0.15 - - -
13 · 1344 0.15 - - -
14 · 2850 0.14 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250617111632869417860 2025-06-17 09:18:08
Discussion

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