RESULT PAGE

oxygenated long-chain aliphatic carbonyl material, most plausibly ester-like

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Result No.: 20250529144125807620218 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygenated long-chain aliphatic carbonyl material, most plausibly ester-like

Sample & Measurement Parameters

Report No. 20250529144125807620218
Date 2025-05-29 19:43:08
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR pattern supports an oxygen-containing organic material with a strong carbonyl band and dominant aliphatic hydrocarbon character. The leading library hit is propyl (Z)-octadec-9-enoate, and the broader Top-15 pattern is heavily populated by fatty esters, diesters, and other oxygenated long-chain compounds. However, the library match quality is extremely weak, with all listed candidates at effectively zero similarity and no direct reference or related-literature confirmation. A narrow assignment to the specific library compound is therefore not chemically secure. The most supportable conclusion is an oxygenated long-chain aliphatic carbonyl material, most plausibly ester-like, with possible additional hydroxyl-containing content indicated by the broad 3393-3433 cm-1 region

Detailed interpretation

  • Top library match: propyl (Z)-octadec-9-enoate #14602
  • The reference library comparison is low-confidence, and all top candidates are reported with zero similarity, S-O the top hit cannot be treated as a reliable identification.
  • No related-literature match was recovered to independently support a specific ester, acid, polymer, or additive assignment.
  • The broad 3393-3433 cm-1 region is not well explained by a simple neat long-chain ester alone and may indicate hydroxyl-containing material or water.
  • The present evidence supports oxygenated aliphatic carbonyl chemistry but does not securely distinguish among fatty ester, diester, hydroxy ester, ester-containing polymer/additive, or a mixture.
  • Possible alkene character is suggested by 3007 cm-1 and bands near 874 and 909 cm-1, but the evidence is insufficient to confirm a specific unsaturated chain structure.
  • The feature at 1566 cm-1 is not fully explained by the leading ester-like candidates and may reflect an additional component or spectral interference.
  • Because no external reference evidence supports the exact library hit, the sample should not be concluded specifically as propyl (Z)-octadec-9-enoate from this FTIR search alone.

Recommended next steps: Re-measure the FTIR spectrum after careful drying or purging to test whether the 3393-3433 cm-1 band is due to adsorbed moisture versus a true hydroxyl-containing component. Inspect the carbonyl region at higher spectral quality to determine whether there is a single ester carbonyl (C=O) band or multiple carbonyl environments indicating a mixture. Compare against authenticated spectra of long-chain fatty esters, diesters, and hydroxy esters rather than relying on the current weak library ranking. Use complementary GC-MS or LC-MS if the sample is extractable, or NMR if sufficient material is available, to distinguish a discrete fatty ester from an ester-containing mixture or additive.

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 · 1735 1.00 - - -
2 · 2922 0.91 - - -
3 · 1165 0.78 - - -
4 · 2852 0.67 - - -
5 · 722 0.52 - - -
6 · 1074 0.52 - - -
7 · 1240 0.44 - - -
8 · 1460 0.44 - - -
9 · 1377 0.33 - - -
10 · 909 0.26 - - -
11 · 874 0.24 - - -
12 · 3007 0.20 - - -
13 · 3393 0.12 - - -
14 · 3403 0.12 - - -
15 · 3415 0.12 - - -
16 · 3423 0.12 - - -
17 · 3433 0.12 - - -
18 · 1566 0.11 - - -
19 · 2037 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250529144125807620218 2025-05-29 19:43:08
Discussion

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