RESULT PAGE

Aromatic/methyl organic compound with carboxyl/carbonyl and phosphate or C-O groups

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Result No.: 20260417121108261455648 Owner: f Comments: 0

FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260417121108261455648 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.

Infrared spectrum comparison chart. Analysis result: Aromatic/methyl organic compound with carboxyl/carbonyl and phosphate or C-O groups.

The FTIR spectrum is consistent with an aromatic or methyl‑containing organic material that also exhibits clear carbonyl and carboxylate signatures. A strong band at 1713 cm⁻¹ reveals carbonyl (C=O) stretching typical of esters, ketones, or carboxylic acids, while the peak at 1409 cm⁻¹ matches carboxylate symmetric stretching. Absorptions at 1018 and 1108 cm⁻¹ lie in the C–O stretching region and can originate from organic esters, polysaccharides, or phosphate groups. The library’s top match, 3‑chloropyridine, is not confirmed because the expected C–Cl vibrations are absent; the collective evidence points toward a mixed organic system with both carbonyl/carboxyl and C–O/phosphate character

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

Aromatic/methyl organic compound with carboxyl/carbonyl and phosphate or C-O groups

Moderate confidence

Conclusion

The reference library comparison shows moderate similarity to 3‑chloropyridine and a broader consensus toward aromatic and methyl‑containing compounds.
Direct literature assignments confirm carboxyl and carbonyl vibrations at the observed positions.
The presence of C–O stretching bands aligns with the supporting groups of the library’s top‑15 candidates, such as ester, carboxyl, and methoxy.

Evidence

Key evidence

Library lead candidate

3-Chloropyridine #62035

Limitations

Evidence that limits the conclusion

The 1018 cm⁻¹ band has been previously assigned to silicon‑oxygen [2] and phosphate in separate studies, introducing assignment ambiguity.
The absence of characteristic C–Cl stretching bands below 800 cm⁻¹ does not support the chlorinated aromatic structure of 3‑chloropyridine.
Whether the C–O‑rich bands represent organic ester, polysaccharide, or phosphate cannot be distinguished by FTIR alone.
The collected spectral range lacks low‑wavenumber vibrations that would be necessary to confirm halogen or metal‑oxygen bonds.
The library match confidence is moderate (0.76) and the spectral features suggest a mixture rather than a single pure entity.

Recommendation

Suggested next verification

Perform elemental analysis (e.g., XRF or EDX) to determine the presence of phosphorus, chlorine, or silicon.
Acquire extended‑range or far‑IR spectra to examine bands below 600 cm⁻¹ for halogen and metal‑oxygen modes.
Apply separation techniques such as chromatography to resolve the mixture before further spectroscopic characterization.

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	·	1108	1.00	-	-	-	-
2	★	1713	0.88	Literature-supported assignment	The band at 1713 cm-1 is assigned to carbonyl (C=O) vibration.	[3]	High confidence
3	·	1018	0.55	-	-	-	-
4	·	1409	0.43	-	-	-	-

Literature

References

No.	Title	DOI	Page
[1]	Sciutto 等 - 2017 - A Multivariate Methodological Workflow for the Ana	10.1155/2017/4938145	9
[2]	Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton	10.3390/coatings11101181	12
[3]	Aguilar-Bolados 等 - 2020 - SEBS-Grafted Itaconic Acid as Compatibilizer for E	10.3390/polym12030643	4

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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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Aromatic/methyl organic compound with carboxyl/carbonyl and phosphate or C-O groups

Similarity-ranked Top-15 library comparison

Reference library candidates

Aromatic/methyl organic compound with carboxyl/carbonyl and phosphate or C-O groups

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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