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aromatic sulfate-containing organic material

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Nr. i rezultatit: 20260522142555973856012 Pronari: narendra Komente: 0
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FTIR ANALYSIS REPORT

Spectrum Analysis Result

No.: 20260522142555973856012 Date: Reported by: FTIR.fun Contact: [email protected]

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Top15

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Top 15 candidates

Reference library candidates

This list helps you compare nearby candidates without repeating the report conclusion.

Rank Match % Compound Name Formula / SMILES Library preview Action
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Executive conclusion

aromatic sulfate-containing organic material

General assessment
Besueshmëri LLM
#134826 Current rank 1 Library lead match 79.1%
Conclusion
  1. Top reference library comparison keeps disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate as the nearest match.
  2. Library consensus explicitly points to aromatic / sulfate chemistry.
  3. Direct reference evidence supports the group assignments aromatic, sulfate, methoxy, methacrylate, and ketone for the current spectrum, with supporting peaks including 420, 473, 521, 669, 1035, 1081, 1162, 1260, 1338, and 1385 cm-1.
Main limitation

No direct literature reference was recovered that confirms the full exact spectral pattern of the leading library compound for this sample.

Detailed explanation Supporting evidence, limitations, and suggested verification steps for this sample.
Evidence

Conclusion evidence

Only evidence relevant to this sample and the present conclusion is shown here.

Përputhje kryesore e bibliotekës
disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate #134826 | match 79.1%
Drejtimi i materialit
aromatic sulfate-containing organic material The FTIR search most closely matches disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate, but the overall evidence is not strong enough to assign that exact compound confidently. The most supportable conclusion is a broader aromatic sulfate-containing organic material. This direction is supported by the library consensus and by characteristic low-wavenumber and fingerprint-region bands consistent with aromatic and sulfate-related functionality, while the absence of direct literature confirmation for the full candidate-specific pattern limits a narrower identification.
Supporting peaks
420 cm-1 473 cm-1 521 cm-1 669 cm-1 1035 cm-1 1081 cm-1 1162 cm-1 1260 cm-1
Supporting groups
aromatic sulfate methoxy methacrylate ketone
Support

Evidence supporting the conclusion

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

  1. The FTIR search most closely matches disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate, but the overall evidence is not strong enough to assign that exact compound confidently. The most supportable conclusion is a broader aromatic sulfate-containing organic material. This direction is supported by the library consensus and by characteristic low-wavenumber and fingerprint-region bands consistent with aromatic and sulfate-related functionality, while the absence of direct literature confirmation for the full candidate-specific pattern limits a narrower identification.
  2. Top reference library comparison keeps disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate as the nearest match.
  3. Library consensus explicitly points to aromatic / sulfate chemistry.
  4. Direct reference evidence supports the group assignments aromatic, sulfate, methoxy, methacrylate, and ketone for the current spectrum, with supporting peaks including 420, 473, 521, 669, 1035, 1081, 1162, 1260, 1338, and 1385 cm-1.
  5. The sample shows a strong fingerprint-region pattern with multiple sulfate-compatible bands around 1035-1260 cm-1 together with aromatic-associated bands in the lower wavenumber region.
  6. The nearest library match is disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate at moderate confidence, and the top library pattern is summarized as aromatic / sulfate.
  7. The observed bands at 420, 473, 521, 669, 1035, and 1081 cm-1 align with the recovered direct reference group assignments for aromatic and sulfate-related features.
  8. Additional sample bands at 1162, 1260, 1338, and 1385 cm-1 remain within the fingerprint region expected for oxygenated sulfur-containing aromatic organics, but they were not tied to a uniquely identifying compound-level reference in this evidence set.
  9. Bands near 1520-1573 and 1651 cm-1 indicate further conjugated or carbonyl-containing organic functionality may be present, which is compatible with the top candidate line but not sufficient here for a firm exact-compound assignment.
  10. The Top-15 library results are chemically mixed, but several leading candidates share strongly oxygenated organic functionality, and the stated common pattern remains most consistent with an aromatic sulfate-bearing material rather than a simple hydrocarbon.
  11. Peak notes: 3445: Direct reference: alkyl c h; ring; 3445: Direct reference: alkyl c h; ring; 1651: Direct reference: alkyl c h; ring.
Limitations

Evidence that limits the conclusion

These points explain what still weakens, limits, or leaves uncertainty in the current interpretation.

  • No direct literature reference was recovered that confirms the full exact spectral pattern of the leading library compound for this sample.
  • The leading library match is only moderate, and the Top-15 list includes chemically diverse materials rather than a tight single-compound cluster.
  • The current evidence packet does not provide direct peak-backed confirmation for candidate-specific features that would distinguish the named disulfonated aromatic compound from a broader aromatic sulfate-containing organic.
  • The present evidence supports the chemistry line of an aromatic sulfate-containing organic material, but not a secure exact-compound identification.
  • Several observed bands above 1450 cm-1 are not sufficiently anchored by direct retrieved references in this run.
  • No closely related literature analogue was recovered to narrow the assignment further within this aromatic sulfate-bearing class.
Recommendation

Suggested next verification

These are the most useful next checks for confirming the present conclusion or refining a low-match result.

  • Verify the sulfate assignment by checking for reproducible strong S=O stretching features across the 1000-1250 cm-1 region in a repeat FTIR measurement with improved baseline handling.
  • Compare the sample directly against a reference spectrum of disodium;4-acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonate if that specific material is suspected.
  • Use complementary UV-Vis spectroscopy to test for an extended aromatic chromophore if an aromatic dye-like sulfate-bearing compound is plausible for this sample.
  • If exact identification matters, perform elemental or ion analysis for sulfur and sodium, and consider LC-MS or high-resolution MS to distinguish a specific sulfonated aromatic compound from other aromatic sulfate-containing materials.
Peak analysis

Detected peaks and interpretation

Rows marked with ★ are characteristic peaks selected by the analyzer.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 3445 1.00 referencë e drejtpërdrejtë 3445 cm-1: This band is consistent with alkyl c h; ring. - -
2 ★ 3445 1.00 referencë e drejtpërdrejtë 3445 cm-1: This band is consistent with alkyl c h; ring. - -
3 ★ 1651 0.74 referencë e drejtpërdrejtë 1651 cm-1: This band is consistent with alkyl c h; ring. - -
4 · 1559 0.57 - - - -
5 ★ 1542 0.51 referencë e drejtpërdrejtë 1542 cm-1: This band is consistent with alkyl c h; ring. - -
6 · 1573 0.50 - - - -
7 · 1385 0.45 - - - -
8 · 1520 0.44 - - - -
9 ★ 1451 0.38 referencë e drejtpërdrejtë 1451 cm-1: This band is consistent with alkyl c h; ring. - -
10 ★ 1399 0.36 referencë e drejtpërdrejtë 1399 cm-1: This band is consistent with alkyl c h; ring. - -
11 ★ 2360 0.25 referencë e drejtpërdrejtë 2360 cm-1: This band is consistent with alkyl c h; ring. - -
12 ★ 1081 0.25 referencë e drejtpërdrejtë 1081 cm-1: This band is consistent with alkyl c h; ring. - -
13 ★ 1260 0.25 referencë e drejtpërdrejtë 1260 cm-1: This band is consistent with alkyl c h; ring. - -
14 ★ 1338 0.25 referencë e drejtpërdrejtë 1338 cm-1: This band is consistent with alkyl c h; ring. - -
15 ★ 1035 0.23 referencë e drejtpërdrejtë 1035 cm-1: This band is consistent with alkyl c h; ring. - -
16 · 2340 0.18 - - - -
17 ★ 1162 0.17 referencë e drejtpërdrejtë 1162 cm-1: This band is consistent with alkyl c h; ring. - -
18 ★ 669 0.16 referencë e drejtpërdrejtë 669 cm-1: This band is consistent with alkyl c h; ring. - -
19 ★ 2926 0.14 referencë e drejtpërdrejtë 2926 cm-1: This band is consistent with alkyl c h; ring. - -
20 · 3734 0.08 - - - -
21 · 3853 0.07 - - - -
22 · 2854 0.07 - - - -
23 ★ 473 0.06 referencë e drejtpërdrejtë 473 cm-1: This band is consistent with alkyl c h; ring. - -
24 ★ 521 0.06 referencë e drejtpërdrejtë 521 cm-1: This band is consistent with ring; ring 6m. - -
25 · 3902 0.06 - - - -
26 ★ 3838 0.05 referencë e drejtpërdrejtë 3838 cm-1: This band is consistent with ring; ring 6m. - -
27 ★ 420 0.05 referencë e drejtpërdrejtë 420 cm-1: This band is consistent with ring; ring 6m. - -
28 · 3819 0.04 - - - -
29 ★ 2119 0.04 referencë e drejtpërdrejtë 2119 cm-1: This band is consistent with alkyl c h; ring. - -
Appendix

Sample information and raw spectrum

The raw uploaded spectrum is retained here for audit and manual review.

Baseline correction method: Asymmetric Least Squares Smoothing

The wavelength range for analysis(cm-1): N/A

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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