RESULT PAGE

long-chain aliphatic ester material

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Result No.: 20250318171052819323651 Owner: publicuser Comments: 0
FTIR Analysis Report

long-chain aliphatic ester material

Sample & Measurement Parameters

Report No. 20250318171052819323651
Date 2025-03-18 11:41:50
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR pattern is most consistent with a long-chain aliphatic ester rather than a secure assignment to the library top hit itself. The strongest observed bands are the ester carbonyl at 1742 cm-1, strong C-O stretching bands at 1235 and 1159 cm-1, aliphatic C-H stretching at 2922 and 2852 cm-1, CH2/CH3 deformation at 1461 and 1374 cm-1, and a 721 cm-1 band characteristic of extended methylene sequences. This combination supports a fatty ester or related long-chain ester composition. However, the library match quality is extremely weak, all leading scores are effectively zero, and no direct or related literature evidence independently confirms Diethyl tetradecanedioate as the specific material

Detailed interpretation

  • Top library match: Diethyl tetradecanedioate #43142
  • The reference library comparison is not strong enough for a specific identification because the reported similarities are effectively zero across the leading candidates.
  • The library consensus note mentioning methyl / chlorine is not supported by the observed peak set, which lacks clear characteristic evidence for chlorinated functionality.
  • The observed spectrum does not provide distinctive features that would uniquely separate a specific diester from other long-chain aliphatic esters.
  • The sample could be a long-chain diester, fatty acid ester, or ester-rich mixture with similar hydrocarbon chain length.
  • The 3006 cm-1 band suggests possible minor unsaturation, but its significance remains uncertain without corroborating bands.
  • It remains unclear whether the sample is a single defined ester compound or a mixture of related ester species.

Recommended next steps: Verify the ester assignment by checking for strong repeatable C-O bands across the 1300-1000 cm-1 region in a higher-quality FTIR acquisition. Use GC-MS or LC-MS to determine whether the sample is a discrete ester such as Diethyl tetradecanedioate or a mixture of long-chain esters. If available, compare against authenticated spectra of long-chain diesters and fatty esters rather than relying on the current low-match library result. Acquire complementary data such as 1H NMR or exact-mass analysis to distinguish saturated diesters from unsaturated or mixed fatty ester materials.

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 #20250318171052819323651 2025-03-18 11:41:50
Discussion

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