RESULT PAGE

aliphatic ester, likely a long-chain fatty ester or diester

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Result No.: 20250312162613534563386 Owner: publicuser Comments: 0
FTIR Analysis Report

aliphatic ester, likely a long-chain fatty ester or diester

Sample & Measurement Parameters

Report No. 20250312162613534563386
Date 2025-03-12 10:57:38
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The spectrum is most consistent with an aliphatic ester-containing material rather than a firm assignment to the library top hit. The strongest sample evidence is the intense ester carbonyl band near 1742 cm⁻1, accompanied by C–O stretching bands at 1235 and 1159 cm⁻1 and a long alkyl-chain pattern at 2922, 2852, 1461, 1374, and 721 cm⁻1. Across the leading library candidates, the chemically consistent pattern is dominated by long-chain ester compounds such as fatty esters, diesters, and related oxygenated lipid-like materials. However, the library match quality is effectively null, and there is no direct or related literature evidence that specifically supports Diethyl tetradecanedioate as the present sample. A broader ester direction is therefore the most chemically supportable conclusion

Detailed interpretation

  • Top library match: Diethyl tetradecanedioate #43142
  • The top library hit, Diethyl tetradecanedioate, has a similarity of 0.000, S-O the retrieval does not provide direct identification support.
  • The library consensus note of "methyl / chlorine" is not convincingly supported by the observed peak list, which does not show clear identifying evidence for chlorinated functionality.
  • The current evidence supports an ester class assignment, but it does not securely distinguish between a simple fatty ester, a diester, a glyceride-related ester, or a similar long-chain oxygenated aliphatic material.
  • The weak 3006 cm⁻1 feature leaves open whether the sample is fully saturated or contains some unsaturation.
  • Without stronger match quality or additional corroborating data, the specific library name cannot be treated as confirmed.

Recommended next steps: Re-run the FTIR with full-spectrum review and band intensities to confirm the ester C–O region and check for any overlooked bands that would distinguish monoester, diester, or hydroxyl-containing ester materials. Compare the sample against authenticated spectra of long-chain fatty esters and aliphatic diesters, including Diethyl tetradecanedioate, under the same measurement conditions. Use GC-MS or LC-MS, if the sample is extractable, to determine chain length distribution and whether the material is a single ester, a diester, or a mixture of fatty esters. If unsaturation is important to the application, verify the weak 3006 cm⁻1 feature with repeat FTIR or complementary NMR analysis.

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 · 1742 1.00 - - -
2 · 2922 0.96 - - -
3 · 1159 0.75 - - -
4 · 2852 0.65 - - -
5 · 721 0.38 - - -
6 · 1461 0.36 - - -
7 · 1235 0.36 - - -
8 · 1374 0.21 - - -
9 · 3006 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250312162613534563386 2025-03-12 10:57:38
Discussion

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