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RESULTATSIDE

oxygenated hydrocarbon material with aliphatic C-H and hydroxyl/carbonyl functionality, possibly including a vinyl chloride-containing polymer component

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Resultat nr.: 20250416094830651437813 Ejer: publicuser Kommentarer: 1
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250416094830651437813 Date: 2025-04-17 00:09:32 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Choose matching result groups:
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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

oxygenated hydrocarbon material with aliphatic C-H and hydroxyl/carbonyl functionality, possibly including a vinyl chloride-containing polymer component

General assessment
-
#7953 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. Nearest library label: POLYVINYL CHLORIDE.
  2. Multiple leading candidates include vinyl chloride-containing polymers, indicating some pattern-level similarity to that library region.
  3. Observed aliphatic C-H bands at 2852, 2922, and 2955 cm-1 are compatible with polymeric or plasticized organic materials.
Main limitation

All reported library similarities are effectively zero, so the retrieval does not provide strong identification power.

Evidence & interpretation
Evidence

Key evidence

Biblioteksledende match
POLYVINYL CHLORIDE #7953 | match 0.0%
Materialeretning
oxygenated hydrocarbon material with aliphatic C-H and hydroxyl/carbonyl functionality, possibly including a vinyl chloride-containing polymer component The library nearest match is POLYVINYL CHLORIDE, but the match quality is very weak and is not supported strongly enough for a firm material identification. The observed spectrum is better described more broadly as an oxygenated organic material showing aliphatic C-H bands, a strong carbonyl band, and multiple O-H features, with some low-level consistency with vinyl chloride-containing library entries but without sufficient characteristic support to confirm PVC itself.
Support

Evidence supporting the conclusion

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

  1. The library nearest match is POLYVINYL CHLORIDE, but the match quality is very weak and is not supported strongly enough for a firm material identification. The observed spectrum is better described more broadly as an oxygenated organic material showing aliphatic C-H bands, a strong carbonyl band, and multiple O-H features, with some low-level consistency with vinyl chloride-containing library entries but without sufficient characteristic support to confirm PVC itself.
  2. Nearest library label: POLYVINYL CHLORIDE.
  3. Multiple leading candidates include vinyl chloride-containing polymers, indicating some pattern-level similarity to that library region.
  4. Observed aliphatic C-H bands at 2852, 2922, and 2955 cm-1 are compatible with polymeric or plasticized organic materials.
  5. The fingerprint-region cluster at 1005-1271 cm-1 supports oxygen-containing functionality, consistent with several oxygenated co-polymer or additive-containing library candidates.
  6. The sample shows aliphatic C-H stretching bands at 2852, 2922, and 2955 cm-1, consistent with an organic hydrocarbon backbone or substituents.
  7. A strong band at 1727 cm-1 supports the presence of a carbonyl-containing component, which is not expected for unmodified PVC as a sole material.
  8. Bands at 3439, 3527, 3619, and 3695 cm-1 indicate hydroxyl-containing species or adsorbed/associated O-H, again favoring an oxygenated material contribution.
  9. Bands at 1005, 1032, 1073, 1120, and 1271 cm-1 are consistent with C-O or related fingerprint-region absorptions often seen in oxygenated organics or polymer additives.
  10. The library Top-15 pattern includes PVC and vinyl chloride/vinyl acetate/vinyl alcohol-type entries, suggesting that a chlorinated vinyl polymer family is one possible direction, but the overall retrieval confidence is low and non-exclusive.
Limitations

Evidence that limits the conclusion

  • All reported library similarities are effectively zero, so the retrieval does not provide strong identification power.
  • The spectrum contains a clear carbonyl band at 1727 cm-1, which argues against assigning neat PVC as the sole material.
  • Strong O-H features at 3439-3695 cm-1 are not sufficient support for a simple PVC assignment and suggest additional oxygenated content, surface contamination, additive contribution, or a different material class.
  • It remains unclear whether the oxygenated bands arise from a copolymer, plasticizer/additive package, degradation products, or surface contamination.
  • The present evidence does not securely establish chlorine-bearing bands specific enough to confirm PVC.
  • Because no direct literature match was recovered, the current conclusion should remain at a broad material-direction level rather than an entity claim.
Recommendation

Suggested next verification

  • Re-measure the sample after careful surface cleaning and drying to test whether the O-H bands decrease, which would help distinguish intrinsic hydroxyl functionality from moisture or surface contamination.
  • Inspect the 600-700 cm-1 region at higher quality for characteristic C-Cl-related absorptions expected for vinyl chloride-containing materials.
  • Compare the sample against reference spectra for neat PVC, vinyl acetate/vinyl alcohol-containing copolymers, and common ester plasticizers, especially around 1727 and 1000-1300 cm-1.
  • If available, use complementary methods such as Raman spectroscopy, XRF/EDS for chlorine, or pyrolysis-GC/MS to determine whether a chlorinated vinyl polymer is actually present.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 1727 1.00 - - - -
2 · 1425 0.95 - - - -
3 · 2922 0.92 - - - -
4 · 1271 0.84 - - - -
5 · 1120 0.65 - - - -
6 · 2955 0.64 - - - -
7 · 872 0.55 - - - -
8 · 2852 0.54 - - - -
9 · 1005 0.50 - - - -
10 · 952 0.46 - - - -
11 · 741 0.45 - - - -
12 · 1032 0.43 - - - -
13 · 1073 0.37 - - - -
14 · 690 0.27 - - - -
15 · 800 0.25 - - - -
16 · 832 0.22 - - - -
17 · 3695 0.20 - - - -
18 · 1634 0.17 - - - -
19 · 1579 0.14 - - - -
20 · 2117 0.13 - - - -
21 · 3619 0.13 - - - -
22 · 3439 0.12 - - - -
23 · 3527 0.12 - - - -
24 · 3074 0.12 - - - -
25 · 2670 0.11 - - - -
26 · 2325 0.10 - - - -
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:

Sample spectrum image
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Admin  fra : Seattle, United States
  • 17 Apr '25

This is the FTIR analysis result of a .dx file uploaded by a user with IP 191.XX.XXX.255 The original image is shown below.2222.png

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