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EREDMÉNY OLDAL

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

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Eredmény száma: 20250220165008564245896 Tulajdonos: Admin Hozzászólások: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250220165008564245896 Date: 2025-02-21 08:33:29 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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Top 15 candidates

Reference library candidates

Rank Match % Compound Name Formula / SMILES Library preview Action
Reference candidates load with this Top-15 workbench.

Based on the library matches and evidence above.

Conclusion

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

General assessment
-
#35827 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. The 2260 cm-1 band supports a nitrile-region assignment.
  2. The 3466 and 3163 cm-1 bands support the presence of N-H and/or hydrogen-bonded O-H stretching.
  3. The library consensus mentions methyl / n h, which is at least broadly consistent with organic nitrogen-containing material.
Main limitation

The leading library hit Boric acid has a similarity of 0.000, so the retrieval does not provide positive identification support.

Evidence & interpretation
Evidence

Key evidence

Könyvtár vezető egyezés
Boric acid #35827 | match 0.0%
Anyag iránya
nitrogen-containing organic material with possible nitrile and N-H functionality 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.
Support

Evidence supporting the conclusion

Only sample-relevant statements that support the present conclusion are shown here.

  1. 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.
  2. The 2260 cm-1 band supports a nitrile-region assignment.
  3. The 3466 and 3163 cm-1 bands support the presence of N-H and/or hydrogen-bonded O-H stretching.
  4. The library consensus mentions methyl / n h, which is at least broadly consistent with organic nitrogen-containing material.
  5. Several leading library candidates contain nitrogen- or carbonyl-bearing organic motifs, which is directionally consistent with the observed non-mineral-like spectrum.
  6. The observed spectrum is defined here by bands near 3466 and 3163 cm-1, a strong feature near 2260 cm-1, and additional bands near 1448 and 866 cm-1.
  7. A band near 2260 cm-1 is most consistent with a nitrile-region absorption and is not expected to support a boric acid assignment.
  8. Bands at 3466 and 3163 cm-1 are consistent with N-H stretching or hydrogen-bonded O-H stretching, which agrees better with a nitrogen-containing organic direction than with a simple inorganic boric acid assignment.
  9. The Top-15 library pattern is highly mixed and low-quality, including boric acid, acetate salts, amide-containing polymers, acetamide, and nitrile-containing polymer entries, so it supports only a broad heteroatom-containing organic direction rather than a specific compound.
  10. Among the broader library clues, repeated appearance of amide- or nitrogen-bearing materials is more compatible with the observed high-wavenumber bands than a clean boric acid match.
Limitations

Evidence that limits the conclusion

  • The leading library hit Boric acid has a similarity of 0.000, so 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, so 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, so 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.
Recommendation

Suggested next verification

  • 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.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1448 1.00 - - - -
2 · 866 0.54 - - - -
3 · 3466 0.53 - - - -
4 · 3163 0.52 - - - -
5 · 2260 0.14 - - - -
Appendix

Sample information and raw spectrum

Original uploaded spectrum for reference and verification.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): [(650, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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  • 21 Feb '25

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