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nitrogen-containing organic material with possible nitrile and N-H functionality

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Result No.: 20250220165008564245896 Owner: Admin Comments: 1
FTIR Analysis Report

nitrogen-containing organic material with possible nitrile and N-H functionality

Sample & Measurement Parameters

Report No. 20250220165008564245896
Date 2025-02-21 08:33:29
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 identification as Boric acid despite that library entry appearing first, because the library match quality is effectively absent and the observed bands are not characteristic of a simple boric acid spectrum. Instead, the sample is more cautiously described as a nitrogen-containing organic material, with a strong possibility of nitrile functionality and at least one N-H or hydrogen-bonded O-H containing group

Detailed interpretation

  • Top library match: Boric acid #35827
  • The leading library hit Boric acid has a similarity of 0.000, S-O the retrieval does not provide positive identification support.
  • The strong 2260 cm-1 band is a major limitation for a boric acid conclusion and instead points toward a different functional class.
  • The Top-15 library candidates are chemically inconsistent with one another, which limits confidence in any narrow material assignment.
  • The available peak list is sparse, S-O the presence or absence of key companion bands for nitriles, amides, borates, or carboxylates cannot be checked fully.
  • The high-wavenumber bands could reflect N-H, O-H, or mixed hydrogen-bonded contributions, S-O the heteroatom functionality is not uniquely resolved.
  • Without clearer fingerprint-region structure, the sample cannot be narrowed reliably to a specific nitrile, amide, polymer, salt, or small molecule.

Recommended next steps: Reacquire the FTIR spectrum with full fingerprint-region quality and confirm whether additional bands appear near 1700-1600 cm-1 and 1300-1000 cm-1 to distinguish amide, carboxylate, borate, and other heteroatom-containing groups. Inspect the 2260 cm-1 feature at higher signal-to-noise to confirm whether it is a true characteristic nitrile band rather than an artifact or atmospheric contribution. If this sample may be polymeric, compare against reference spectra of nitrile-containing and amide-containing materials, especially benzonitrile-like or acrylamide-related materials. Use complementary elemental screening such as EDS, XRF, or combustion/CHN analysis to test whether boron is actually present; absence of boron would further rule out the library-leading boric acid suggestion.

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 · 1448 1.00 - - -
2 · 866 0.54 - - -
3 · 3466 0.53 - - -
4 · 3163 0.52 - - -
5 · 2260 0.14 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250220165008564245896 2025-02-21 08:33:29
Discussion

Comments and follow-up evidence

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