RESULT PAGE

amine- or ammonium-containing aliphatic organic material with alkyl C-H and possible N-H/O-H functionality

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Result No.: 20241023160616138658629 Owner: Admin Comments: 2
FTIR Analysis Report

amine- or ammonium-containing aliphatic organic material with alkyl C-H and possible N-H/O-H functionality

Sample & Measurement Parameters

Report No. 20241023160616138658629
Date 2024-10-23 15:03:34
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The current FTIR evidence does not support a firm compound-level identification. Although the nearest library entry is dimethyl-di(prop-2-enyl)azanium chloride, the retrieval confidence is effectively zero and there is no direct or related literature confirmation. The observed spectrum is more safely described as an amine- or ammonium-containing aliphatic organic material showing alkyl C-H stretching, a band in the 1642 cm-1 region, and broad high-wavenumber absorption consistent with N-H and/or O-H functionality

Detailed interpretation

  • Top library match: dimethyl-di(prop-2-enyl)azanium chloride #13288
  • Library similarity values are 0.000 throughout the leading candidates, S-O the library match is not strong enough for an entity claim.
  • The sample evidence does not clearly confirm specific distinguishing features required for the named top hit, such as secure allylic or quaternary-ammonium-specific band patterns.
  • The high-wavenumber broad bands could arise from amine, ammonium-associated moisture, alcohol, or other hydrogen-bonded functionality.
  • The 1642 cm-1 feature is not unique and may reflect H-O-H bending, N-H bending, C=C-related absorption, or another overlapping mode.
  • Because no reliable literature or high-quality library agreement is present, the exact identity and whether the material is a discrete small molecule, salt, or polymeric nitrogen-containing material remain uncertain.

Recommended next steps: Repeat the FTIR measurement after careful drying to determine whether the 3434-3443 and 1642 cm-1 bands are partly due to absorbed water. Inspect the fingerprint region with higher signal quality, especially approximately 1500-700 cm-1, for characteristic C-N, allylic, or ammonium-associated bands that could better separate amine, ammonium salt, and hydroxyl-containing possibilities. If the dimethyl-di(prop-2-enyl)azanium chloride assignment is important, confirm with a complementary method such as NMR or mass spectrometry, since the present FTIR evidence is not sufficiently specific. If an ionic ammonium material is suspected, compare against authenticated spectra of quaternary ammonium salts and related amine-containing standards measured under the same conditions.

Library Comparison

Match group:
Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
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Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 3434 1.00 - - -
2 · 3443 0.89 - - -
3 · 3246 0.28 - - -
4 · 1642 0.24 - - -
5 · 2914 0.19 - - -
6 · 2850 0.16 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20241023160616138658629 2024-10-23 15:03:34
Discussion

Comments and follow-up evidence

Use this area to continue the interpretation, ask questions, or add extra verification evidence.

Based on the possible hydroxyl absorption peak around 3500 and the possible hydrocarbon absorption peak around 1500, the sample resembles a surfactant and may be a salt containing long-chain alkanes.

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