RESULT PAGE

Oxygen-containing carbonaceous material, likely carbonate or carboxylate

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Result No.: 20251224193215660547831 Owner: Admin Comments: 1

FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20251224193215660547831 Date: Reported by: FTIR.fun Contact: [email protected]

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Library spectrum will appear here.

Infrared spectrum comparison chart. Analysis result: Oxygen-containing carbonaceous material, likely carbonate or carboxylate.

The FTIR spectrum presents two prominent bands at 874 and 1406 cm⁻¹ that are characteristic of carbonate (CO₃²⁻) vibrations. The 874 cm⁻¹ peak corresponds to the ν₂ out-of-plane bending mode, and the 1406 cm⁻¹ peak is assigned to the ν₃ asymmetric stretching mode, as supported by literature reports on carbonated materials [1,2]. The 1406 cm⁻¹ feature may also contain contributions from symmetric carboxylate (COO⁻) stretching, consistent with observations for aliphatic dicarboxylic acids (Cabaniss et al., 1998). The reference library comparison returned 5-methylpyrimidine as the nearest match with low confidence (15%) and indicated an aromatic/methoxy composition, but the spectral evidence is more consistent with a carbonate- or carboxylate-dominated material

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
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Based on the library matches and evidence above.

Conclusion

Oxygen-containing carbonaceous material, likely carbonate or carboxylate

Low confidence

Conclusion

Direct literature evidence explicitly attributes the 874 cm⁻¹ peak to carbonate [1] and the 1406 cm⁻¹ peak to carbonate [2].
Related literature reports symmetric carboxylate absorptions for dicarboxylic acids at 1404–1408 cm⁻¹ (Cabaniss et al., 1998), supporting the assignment of the 1406 cm⁻¹ band to carboxylate-containing species.
The 874 cm⁻¹ band agrees with the carbonate ν₂ mode cited by Kasso et al. [1], where it is used as a marker for carbonate content in manuscript fragments.

Evidence

Key evidence

Library lead candidate

5-Methylpyrimidine #63540

Limitations

Evidence that limits the conclusion

The library search identified 5-methylpyrimidine as the top match and points to an aromatic/methoxy composition, but the recorded data (only 874 and 1406 cm⁻¹) lack the characteristic aromatic C–H stretches (~3000–3100 cm⁻¹) and methoxy C–O bands (~1100 cm⁻¹) that would be expected for such a material.
The spectrum is limited to two peaks, which restricts full structural elucidation.
The exact nature of the carbonate phase (e.g., calcite, aragonite, or amorphous calcium carbonate) and the relative contributions of carbonate versus carboxylate functionalities remain unresolved.

Recommendation

Suggested next verification

Acquire a full mid-IR spectrum (4000–400 cm⁻¹) to capture additional functional group bands such as O–H stretches, C=O carbonyls, and C–O single bonds.
Use complementary techniques such as X-ray diffraction or Raman spectroscopy to identify the carbonate polymorph and detect any crystalline phases.
Compare the fingerprint region with reference spectra of known carbonates and carboxylates for definitive assignment.

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	·	1406	1.00	-	-	-	-
2	★	874	0.16	Literature-supported assignment	The band at 874 cm-1 is assigned to carbonate phases.	[3]	High confidence

Literature

References

No.	Title	DOI	Page
[1]	Corrigan 等 - 2013 - Biogenic and biomass burning organic aerosol in a	10.5194/acp-13-12233-2013	11
[2]	Santucci 等 - 2019 - Dissecting the membrane lipid binding properties a	10.1111/febs.14864	39
[3]	Ion 等 - 2023 - Archaeometric Investigations of the Chalcolithic P	10.3390/coatings13030488	16

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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): N/A

Raw spectrum without baseline correction or other processing:

Discussion

Comments and follow-up evidence

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Admin from : Seattle, United States

24 Dec '25

The above shows the FTIR analysis results of a PNG file uploaded by a user from India. The original image and extracted CSV file are displayed below.20251220180648320137254.csv

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Oxygen-containing carbonaceous material, likely carbonate or carboxylate

Similarity-ranked Top-15 library comparison

Reference library candidates

Oxygen-containing carbonaceous material, likely carbonate or carboxylate

Key evidence

Evidence that limits the conclusion

Suggested next verification

Detected peaks and interpretation

References

Need a formal reviewed report instead of the standard result page?

Sample information and raw spectrum

Comments and follow-up evidence

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