RESULT PAGE

oxygen- and nitrogen-containing aliphatic organic compound with ester- or ether-like C-O bands

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Result No.: 20250416100703958834821 Owner: Kamila Comments: 0
FTIR Analysis Report

oxygen- and nitrogen-containing aliphatic organic compound with ester- or ether-like C-O bands

Sample & Measurement Parameters

Report No. 20250416100703958834821
Date 2025-04-17 01:13:54
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR evidence does not support a firm identification as Morpholine-4-carbonitrile. The spectrum is better described more broadly as an oxygen-containing aliphatic organic material, likely also containing nitrogen by library trend, with strong C-O-type absorptions and a prominent carbonyl-like band near 1721 cm-1. This makes a narrow heterocyclic nitrile assignment unsafe on the present evidence

Detailed interpretation

  • Top library match: Morpholine-4-carbonitrile #2953
  • Morpholine-4-carbonitrile would require stronger support for a nitrile band, typically expected near the 2200-2260 cm-1 region; no such band is reported in the sample peak list.
  • The prominent 1721 cm-1 band is not well aligned with a simple morpholine carbonitrile structure, which does not itself explain a strong carbonyl absorption.
  • The library confidence is very low, with all listed similarities at 0.000, S-O the top hit cannot be treated as a reliable identification.
  • The top-ranked candidates do not form a coherent single-compound cluster, limiting confidence in any narrow library-derived assignment.
  • Nitrogen content is suggested only indirectly by the top-ranked library pattern and is not firmly established from the listed sample peaks alone.
  • The present peak list does not distinguish cleanly between an ester, carbonate-like material, ether-containing carbonyl compound, or a mixture.
  • Low library agreement and absent direct literature support prevent a defensible entity-level conclusion.

Recommended next steps: Re-examine the full spectrum specifically for any band in the 2200-2260 cm-1 region to test whether a nitrile group is actually present. Inspect the 1700-1750 cm-1 band shape and intensity in the raw spectrum to determine whether the 1721 cm-1 feature is a true ester-like carbonyl or could arise from overlap or background effects. Compare the sample against reference spectra for oxygenated aliphatic materials such as simple esters, alkoxy-containing carbonyl compounds, and morpholine derivatives before accepting any nitrogen-heterocycle assignment. If available, confirm composition with a complementary method such as GC-MS or LC-MS for molecular identity, or elemental analysis to check whether nitrogen is present at all.

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 · 869 1.00 - - -
2 · 1409 0.84 - - -
3 · 1721 0.41 - - -
4 · 1255 0.37 - - -
5 · 1262 0.37 - - -
6 · 1117 0.37 - - -
7 · 954 0.33 - - -
8 · 738 0.28 - - -
9 · 703 0.26 - - -
10 · 1068 0.25 - - -
11 · 2928 0.21 - - -
12 · 2961 0.20 - - -
13 · 2859 0.13 - - -
14 · 1033 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250416100703958834821 2025-04-17 01:13:54
Discussion

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