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RESULT PAGE

Calcium carbonate

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Result No.: 20260609164129062101177 Owner: mitch Comments: 0
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260609164129062101177 Date: 2026-06-09 09:03:22 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.
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

Calcium carbonate

Material direction: Calcium carbonate (calcite)
High confidence
Conclusion
  1. Related literature explicitly matches the combination of bands at 712, 876, and 1410–1427 cm⁻¹ to calcite [S6].
  2. The library Top‑15 overwhelmingly comprises carbonates (calcium carbonate, dolomite, ankerite, calcite), with a moderate similarity of 0.78 for the top match.
  3. Direct evidence citations assign the 1415 cm⁻¹ band to ν₃CO [1] and the 876 cm⁻¹ band to carbonate [S6, S2].
Evidence & interpretation
Evidence

Key evidence

Library lead candidate
Calcium carbonate #125439
Limitations

Evidence that limits the conclusion

  • The user‑supplied context ('Chitosan powder extracted from oyster shell') names a different material, but the spectrum lacks typical chitosan bands such as amide I near 1650 cm⁻¹ and polysaccharide C–O–C around 1150 cm⁻¹.
  • The spectral pattern is dominated by carbonate, suggesting residual oyster shell or incomplete demineralisation rather than purified chitosan.
  • Minor dolomite or ankerite substitution (Mg/Fe) cannot be fully excluded given the presence of these carbonates in the Top‑15 list, but the primary identification as calcite is most consistent with the evidence.
Recommendation

Suggested next verification

  • Compare with a reference calcium carbonate spectrum to confirm phase purity.
  • If chitosan is expected in trace amounts, perform extraction or dissolution followed by IR analysis of the organic fraction; consider ATR with a clean background to avoid carbonate interference.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

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Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1506 0.54 - - - -
2 · 1415 0.50 - - - -
3 · 422 0.39 - - - -
4 · 876 0.38 - - - -
5 · 1497 0.22 - - - -
6 · 467 0.22 - - - -
7 · 712 0.20 - - - -
8 · 2360 0.17 - - - -
9 · 455 0.16 - - - -
10 · 481 0.16 - - - -
11 · 1519 0.13 - - - -
12 · 1734 0.12 - - - -
13 · 502 0.11 - - - -
14 · 521 0.09 - - - -
15 · 1647 0.07 - - - -
16 · 553 0.05 - - - -
17 · 1717 0.05 - - - -
18 · 3566 0.04 - - - -
19 · 3735 0.04 - - - -
20 · 3649 0.03 - - - -
Literature

References

No. Title DOI Page
[1] Balashova 等 - 2022 - Croconic Acid Doped Triglycine Sulfate Crystal St 10.3390/cryst12050679 12
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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): [(400, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
Discussion

Comments and follow-up evidence

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