RESULT PAGE

nitrogen- and oxygen-containing organic material with methyl and C-O functionality

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Result No.: 20250319193314447484153 Owner: Admin Comments: 1
FTIR Analysis Report

nitrogen- and oxygen-containing organic material with methyl and C-O functionality

Sample & Measurement Parameters

Report No. 20250319193314447484153
Date 2025-03-20 01:48:29
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The FTIR result does not support a secure compound-level identification. The library top hit is 4-iminopentan-2-one, but all listed library similarities are 0.000 and there is no direct reference or related-literature confirmation. The observed bands are more safely interpreted as indicating an organic material that contains nitrogen- and oxygen-bearing functionality, with methyl/aliphatic C-H character, C-O type absorption, and possible N-H involvement. A broader direction is therefore more chemically supportable than assigning the sample to the named library compound

Detailed interpretation

  • Top library match: 4-iminopentan-2-one #53858
  • The top library match has effectively no numerical support because all reported similarities are 0.000.
  • The leading candidates are chemically diverse, including an imine/ketone, polyamides, amines, nitroanilines, amides, ureas, and heteroaromatics, which weakens any narrow material assignment.
  • The sample peak at 2078 cm-1 is not clearly accounted for by the proposed top candidate and limits confidence in a specific identification.
  • The library consensus phrase 'methyl / oxygen heterocycle' is only partially supported by the observed peaks and is not sufficient to justify a heterocycle-specific conclusion.
  • It remains uncertain whether the nitrogen functionality is amine, amide, imine, nitro-associated, or another N-containing group.
  • It remains uncertain whether the oxygen-containing bands arise from alcohol/ether-type C-O, carbonyl-adjacent C-O, or another oxygen-bearing motif.
  • The 2078 cm-1 feature could reflect a weak combination band, impurity, or less common functional group, but the present evidence does not discriminate among these possibilities.
  • Because no stable literature match was recovered, the current conclusion should be treated as a broad material direction rather than a material identity.

Recommended next steps: Recollect the FTIR spectrum with careful background subtraction and replicate scans to confirm whether the 2078 cm-1 band is real and reproducible. Inspect the full spectrum, especially the 1800-1500 cm-1 region, for carbonyl, amide, imine, or nitro-associated band shape details that could narrow the nitrogen/oxygen functionality. If available, run ATR-FTIR and compare with a transmission measurement to check whether contact effects are influencing the 3277 cm-1 and 1043-1229 cm-1 bands. Use a complementary method such as Raman, GC-MS, or LC-MS for a small-molecule sample, or elemental analysis if feasible, to determine whether the sample is best described as an amine/imino compound, an amide-containing material, or another N/O-containing organic substance.

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 · 1542 1.00 - - -
2 · 1624 0.81 - - -
3 · 1398 0.44 - - -
4 · 1043 0.38 - - -
5 · 3277 0.28 - - -
6 · 2930 0.14 - - -
7 · 2078 0.12 - - -
8 · 1229 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250319193314447484153 2025-03-20 01:48:29
Discussion

Comments and follow-up evidence

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