FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250418084927843588159 Date: 2025-04-18 07:12:41 Reported by: FTIR.fun Contact: [email protected]

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Top15

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Library spectrum will appear here.

Infrared spectrum comparison chart. Analysis result: small nitrogen-containing inorganic or simple organic salt/solvent residue, with possible nitrate, carbonate, or nitrile-like character.

The FTIR evidence does not support a firm compound-level identification. Library matching is extremely weak, with all listed candidates at zero similarity, so the named top hit cannot be treated as a reliable assignment. The observed bands at 1397-1417 cm-1 together with strong low-wavenumber features near 682 and 869 cm-1 are more consistent with a simple nitrogen- or carbonate-containing residue than with a specifically identified molecular material. A nitrile-like possibility remains because acetonitrile appears among the leading library candidates, but the expected isolated strong band near ~2250 cm-1 is not reported here. Overall, the safest conclusion is a broad material direction involving a small nitrogen-containing inorganic or simple organic residue, potentially nitrate-, carbonate-, or nitrile-related, rather than a confirmed single substance

Library spectrum Interactive sample curve Move the pointer to show the vertical guide line.

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

small nitrogen-containing inorganic or simple organic salt/solvent residue, with possible nitrate, carbonate, or nitrile-like character

General assessment

#60468 Initial rank 1 Current rank 1 Library lead match 0.0%

Conclusion

Top-15 retrieval contains several nitrate- and carbonate-containing entries, indicating recurring similarity to simple oxygenated anion chemistry.
Acetonitrile appears more than once among leading candidates, so a nitrile-related direction is at least suggested by the retrieval pattern.
Aliphatic C-H stretches at 2872 and 2928 cm-1 support the possibility of a small organic component in the sample.

Main limitation

All library candidates have zero similarity, so no specific library name is directly supported.

Evidence

Key evidence

Bibliotheek hoofdmatch

tetramethylazanium nitrate #60468 | match 0.0%

Materiaalrichting

small nitrogen-containing inorganic or simple organic salt/solvent residue, with possible nitrate, carbonate, or nitrile-like character The FTIR evidence does not support a firm compound-level identification. Library matching is extremely weak, with all listed candidates at zero similarity, so the named top hit cannot be treated as a reliable assignment. The observed bands at 1397-1417 cm-1 together with strong low-wavenumber features near 682 and 869 cm-1 are more consistent with a simple nitrogen- or carbonate-containing residue than with a specifically identified molecular material. A nitrile-like possibility remains because acetonitrile appears among the leading library candidates, but the expected isolated strong band near ~2250 cm-1 is not reported here. Overall, the safest conclusion is a broad material direction involving a small nitrogen-containing inorganic or simple organic residue, potentially nitrate-, carbonate-, or nitrile-related, rather than a confirmed single substance.

Support

Evidence supporting the conclusion

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

The FTIR evidence does not support a firm compound-level identification. Library matching is extremely weak, with all listed candidates at zero similarity, so the named top hit cannot be treated as a reliable assignment. The observed bands at 1397-1417 cm-1 together with strong low-wavenumber features near 682 and 869 cm-1 are more consistent with a simple nitrogen- or carbonate-containing residue than with a specifically identified molecular material. A nitrile-like possibility remains because acetonitrile appears among the leading library candidates, but the expected isolated strong band near ~2250 cm-1 is not reported here. Overall, the safest conclusion is a broad material direction involving a small nitrogen-containing inorganic or simple organic residue, potentially nitrate-, carbonate-, or nitrile-related, rather than a confirmed single substance.
Top-15 retrieval contains several nitrate- and carbonate-containing entries, indicating recurring similarity to simple oxygenated anion chemistry.
Acetonitrile appears more than once among leading candidates, so a nitrile-related direction is at least suggested by the retrieval pattern.
Aliphatic C-H stretches at 2872 and 2928 cm-1 support the possibility of a small organic component in the sample.
The sample shows reported bands at 682, 869, 1015, 1397, 1417, 2872, and 2928 cm-1.
The library summary points broadly toward chlorine / nitrile, but the candidate list itself is chemically inconsistent, including nitrate salts, carbonate salts, and acetonitrile, all with zero similarity.
Repeated appearance of nitrate and carbonate salts in the Top-15 suggests the spectrum may be dominated by simple inorganic-type absorptions rather than a distinctive complex organic fingerprint.
Bands at 2872 and 2928 cm-1 indicate aliphatic C-H stretching, which could fit a small organic component or contamination, but they do not uniquely support tetramethylazanium nitrate.
The pair at 1397 and 1417 cm-1 can be compatible with strong anion-related absorptions such as nitrate or carbonate regions, but these features are not specific on their own.
The 869 cm-1 band is also compatible with carbonate-like out-of-plane or deformation-type absorption, which is why carbonate salts appearing in the library pattern cannot be ignored.

Limitations

Evidence that limits the conclusion

All library candidates have zero similarity, so no specific library name is directly supported.
The top candidate, tetramethylazanium nitrate, would require stronger compound-specific agreement than is available here.
A nitrile assignment is limited by the absence of a reported characteristic sharp band near about 2250 cm-1.
A chlorine-containing direction is not supported by any reported characteristic FTIR band in the provided peak list.
No related-literature match was recovered to validate either the nitrate/carbonate interpretation or the nitrile suggestion.
The present peak set is too sparse and non-specific to distinguish confidently among nitrate salt, carbonate salt, or minor small-organic residue scenarios.
The aliphatic C-H bands could arise from trace contamination or from a real organic cation/component; FTIR alone here does not separate those possibilities.

Recommendation

Suggested next verification

Re-acquire the FTIR spectrum with full band intensities and baseline correction, paying particular attention to the 2300-2200 cm-1 region for a nitrile band and the 1500-1300 cm-1 region for nitrate or carbonate line shape.
Check for atmospheric or substrate contamination and repeat after a clean blank/background measurement, since the weak aliphatic C-H bands may reflect handling residue.
If nitrate is suspected, verify with Raman or ion chromatography; if carbonate is suspected, test acid reactivity or confirm by XRD for an inorganic salt residue.
If a volatile organic residue is possible, complement FTIR with GC-MS or headspace analysis to evaluate a small nitrile such as acetonitrile.

Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index	Characteristic	Wavenumber	Absorbance	Evidence	One-line interpretation	Citation	Confidence
1	·	1417	1.00	-	-	-	-
2	·	1397	0.80	-	-	-	-
3	·	2928	0.47	-	-	-	-
4	·	1015	0.38	-	-	-	-
5	·	869	0.24	-	-	-	-
6	·	2872	0.22	-	-	-	-
7	·	682	0.20	-	-	-	-

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:

small nitrogen-containing inorganic or simple organic salt/solvent residue, with possible nitrate, carbonate, or nitrile-like character

FTIR Spectrum Analysis Report

Similarity-ranked Top-15 library comparison

Reference library candidates

small nitrogen-containing inorganic or simple organic salt/solvent residue, with possible nitrate, carbonate, or nitrile-like character

Key evidence

Evidence supporting the conclusion

Evidence that limits the conclusion

Suggested next verification

Detected peaks and interpretation

Sample information and raw spectrum

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Online ondersteuning

small nitrogen-containing inorganic or simple organic salt/solvent residue, with possible nitrate, carbonate, or nitrile-like character

Similarity-ranked Top-15 library comparison

Reference library candidates

small nitrogen-containing inorganic or simple organic salt/solvent residue, with possible nitrate, carbonate, or nitrile-like character

Key evidence

Evidence supporting the conclusion

Evidence that limits the conclusion

Suggested next verification

Detected peaks and interpretation

Sample information and raw spectrum

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