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STRANICA REZULTATA

oxygenated organic material with aliphatic C-H, O-H/N-H, and carbonyl functionality

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Broj rezultata: 20250606233414737488359 Vlasnik: publicuser Komentari: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20250606233414737488359 Date: 2025-06-06 15:42:24 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

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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 organic material with aliphatic C-H, O-H/N-H, and carbonyl functionality

General assessment
-
#48491 Initial rank 1 Current rank 1 Library lead match 0.0%
Conclusion
  1. 1721 cm-1 supports the presence of carbonyl functionality.
  2. 3327, 3624, and 3639 cm-1 support hydroxyl and/or amine-type stretching rather than a simple hydrocarbon-only material.
  3. 2856 and 2928 cm-1 support aliphatic C-H bonds.
Main limitation

A specific assignment to Poly(vinyl chloride) is limited because the spectrum contains strong O-H/N-H and carbonyl features that are not explained by neat PVC alone.

Evidence & interpretation
Evidence

Key evidence

Vodeće podudaranje iz knjižnice
Poly(vinyl chloride) #48491 | match 0.0%
Smjer materijala
oxygenated organic material with aliphatic C-H, O-H/N-H, and carbonyl functionality The ordinary FTIR evidence does not support a firm assignment to Poly(vinyl chloride) as a specific material. The spectrum is better described more broadly as an oxygenated organic material showing aliphatic C-H bands, a strong carbonyl band, and O-H/N-H stretching, with possible minor halogen-related contribution in the fingerprint region. Because the library match quality is effectively non-discriminating and no direct or related literature evidence narrows the result, a broad chemically supported direction is the most defensible conclusion.
Support

Evidence supporting the conclusion

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

  1. 1721 cm-1 supports the presence of carbonyl functionality.
  2. 3327, 3624, and 3639 cm-1 support hydroxyl and/or amine-type stretching rather than a simple hydrocarbon-only material.
  3. 2856 and 2928 cm-1 support aliphatic C-H bonds.
  4. 1062-1252 cm-1 fingerprint bands are compatible with C-O single-bond-containing organic material.
  5. The leading library candidates include oxygenated vinyl polymers as well as chlorinated vinyl materials, which is at least broadly consistent with a functionalized organic/polymeric sample.
  6. The sample shows a strong band at 1721 cm-1, consistent with a carbonyl-containing component such as an ester, acid, aldehyde, ketone, or oxidized additive-containing organic material.
  7. Bands at 3327, 3624, and 3639 cm-1 support O-H and/or N-H stretching, indicating hydroxylated, hydrated, or otherwise hydrogen-bonding functionality.
  8. Bands at 2856 and 2928 cm-1 support aliphatic C-H stretching.
  9. Bands at 1062, 1074, 1117, and 1252 cm-1 are consistent with C-O containing functionality in the fingerprint region.
  10. The 679 cm-1 band can be compatible with C-Cl or certain out-of-plane/ring-region modes, but by itself it is not sufficient to establish a chlorinated polymer identity.
  11. The Top-15 library pattern contains several vinyl-based and oxygenated polymer candidates, but all reported similarities are 0.000, so the retrieval pattern is too weak to support a specific entity claim.
Limitations

Evidence that limits the conclusion

  • A specific assignment to Poly(vinyl chloride) is limited because the spectrum contains strong O-H/N-H and carbonyl features that are not explained by neat PVC alone.
  • The library result is intrinsically weak: all top candidates have similarity values of 0.000, so the ranking does not provide reliable discriminating support.
  • The Top-15 consensus note of nitrogen heterocycle / n h is not convincingly supported by the observed peak pattern and is inconsistent with the leading named PVC candidate.
  • The current spectrum could represent a functionalized polymer, a polymer blend, an oxidized material, or a material containing additives rather than a single neat substance.
  • The 679 cm-1 band leaves open the possibility of a chlorinated component, but the present evidence does not show that this is the dominant chemistry.
  • Without stronger reference agreement, the carbonyl-bearing and O-H/N-H-bearing components cannot be assigned to a specific polymer class with confidence.
Recommendation

Suggested next verification

  • Re-run the FTIR after checking background subtraction and ATR contact quality, since the present library discrimination is effectively absent.
  • Inspect the full spectrum for characteristic chlorinated polymer bands in the 600-700 cm-1 region and compare against a verified PVC reference measured under the same conditions.
  • Check whether the broad high-wavenumber features arise from moisture, alcohol functionality, or amine-containing additives by drying the sample and reacquiring the spectrum.
  • If this is a polymer sample, use complementary methods such as DSC/TGA for formulation screening and, if chlorine is suspected, XRF or elemental analysis to verify halogen content.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 · 679 1.00 - - - -
2 · 1117 0.74 - - - -
3 · 1062 0.71 - - - -
4 · 1074 0.71 - - - -
5 · 1721 0.47 - - - -
6 · 1252 0.44 - - - -
7 · 3327 0.23 - - - -
8 · 2928 0.23 - - - -
9 · 1447 0.18 - - - -
10 · 1528 0.18 - - - -
11 · 2856 0.18 - - - -
12 · 3624 0.11 - - - -
13 · 3639 0.11 - - - -
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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