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Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate

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Resultaat nr.: 20260528100755416137536 Eigenaar: hunterhudzik Reacties: 0
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FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

No.: 20260528100755416137536 Date: 2026-05-28 14:23:47 Reported by: FTIR.fun Contact: [email protected]

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Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.
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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

Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate

Entity identified
Algehele betrouwbaarheid
#146255 Initial rank 1 Current rank 1 Library lead match 91.0%
Conclusion
  1. The ester carbonyl at 1736 cm⁻¹ is directly supported by related literature describing bonded C=O stretching near 1737 cm⁻¹ in polyesters.
  2. Aliphatic C–H stretches at 2858 and 2932 cm⁻¹ are consistent with the hydrocarbon segments of the adipate backbone and dodecanoate chain.
  3. The Top-15 library candidates are dominantly polyester adipates and plasticizers, reinforcing the classification.
Main limitation

Minor bands at 591, 756, and 833 cm⁻¹ are not fully explained by the main polyester matrix and could be due to trace additives or minor components.

Evidence & interpretation
Evidence

Key evidence

Bibliotheek hoofdmatch
Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate #146255 | match 91.0%
Materiaalrichting
Polyester adipate plasticizer The sample is identified as Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate (#146255), a polyester plasticizer. The spectrum exhibits characteristic ester carbonyl at 1736 cm⁻¹, strong C–O–C stretching bands between 1176–1241 cm⁻¹, and aliphatic C–H stretching at 2858 and 2932 cm⁻¹. The broad band at 3535 cm⁻¹ suggests hydroxyl groups or moisture.
Supporting peaks
465 cm-1 591 cm-1 756 cm-1 833 cm-1 951 cm-1 1019 cm-1 1084 cm-1 1176 cm-1
Supporting groups
methyl aromatic alkyl_c_h o_c_o phosphate c_o_single_bond ester_c=o
Support

Evidence supporting the conclusion

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

  1. The sample is identified as Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate (#146255), a polyester plasticizer. The spectrum exhibits characteristic ester carbonyl at 1736 cm⁻¹, strong C–O–C stretching bands between 1176–1241 cm⁻¹, and aliphatic C–H stretching at 2858 and 2932 cm⁻¹. The broad band at 3535 cm⁻¹ suggests hydroxyl groups or moisture.
  2. The ester carbonyl at 1736 cm⁻¹ is directly supported by related literature describing bonded C=O stretching near 1737 cm⁻¹ in polyesters.
  3. Aliphatic C–H stretches at 2858 and 2932 cm⁻¹ are consistent with the hydrocarbon segments of the adipate backbone and dodecanoate chain.
  4. The Top-15 library candidates are dominantly polyester adipates and plasticizers, reinforcing the classification.
  5. The intense band at 1736 cm⁻¹ is assigned to ester C=O stretching, consistent with bonded carbonyl in polyesters; related literature reports bonded C=O near 1737 cm⁻¹.
  6. The pair of strong absorptions at 2858 and 2932 cm⁻¹ arise from symmetric and asymmetric C–H stretching of aliphatic methylene and methyl groups, typical of the adipate backbone and dodecanoate chain.
  7. The bands at 1176 and 1241 cm⁻¹ correspond to C–O stretching modes of ester and ether linkages; the 1176 cm⁻¹ band may include an asymmetric C–O–C contribution.
  8. A weak band at 3535 cm⁻¹ is attributable to O–H stretching, indicating adsorbed water or residual hydroxyl end groups.
  9. The library search returns a high similarity (0.865) to #146255, with multiple adipate/polyester plasticizers among the closest matches.
  10. Major peak assignments include 1736: Related literature: ester carbonyl stretch (triglyceride/polyester) | Direct reference: alkyl c h; c o single bond; 1176: Related literature: C-O/C-O-C stretching (cellulose/cotton or ester) | Direct reference: alkyl c h; c o single bond; 1241: Related literature: possible C-O-C or C-H deformation (ester/ether) | Direct reference: alkyl c h; c o single bond; 1084: Related literature: C-O/C-O-C stretching (cellulose/cotton or ester) | Direct reference: alkyl c h; c o single bond.
Limitations

Evidence that limits the conclusion

  • Minor bands at 591, 756, and 833 cm⁻¹ are not fully explained by the main polyester matrix and could be due to trace additives or minor components.
  • The library match, though high, does not uniquely confirm the exact molecular composition because the polymer is a complex blend; the identification relies on the ensemble of spectral features.
Recommendation

Suggested next verification

  • To verify the dodecanoate content and differentiate from other adipate polyesters, additional analysis by GC‑MS or NMR could be performed.
  • If quantification of the plasticizer is needed, extraction and HPLC may be considered.
Peak analysis

Detected peaks and interpretation

★ = Literature-supported peak assignment.

Index Characteristic Wavenumber Absorbance Evidence One-line interpretation Citation Confidence
1 ★ 1736 0.99 Literatuur-ondersteunde toewijzing De band bij 1736 cm-1 is toegewezen aan ester C=O/C-O vibration[S4][S6]. [S4], [S6] LLM-vertrouwen
2 ★ 1176 0.82 Analoge literatuurtoewijzing De band bij 1176 cm-1 is toegewezen aan C-O vibration[S1][S4]. [S1], [S4] LLM-vertrouwen
3 ★ 1241 0.71 Literatuur-ondersteunde toewijzing De band bij 1241 cm-1 is toegewezen aan C-O vibration[RC238]. [RC238] LLM-vertrouwen
4 ★ 1084 0.65 Analoge literatuurtoewijzing De band bij 1084 cm-1 is toegewezen aan C-O vibration[S1][S4]. [S1], [S4] Algehele betrouwbaarheid
5 · 1379 0.59 - - - -
6 ★ 2932 0.59 Literatuur-ondersteunde toewijzing De band bij 2932 cm-1 is toegewezen aan alkyl/aliphatic C-H vibration[RC1262]. [RC1262] LLM-vertrouwen
7 · 1458 0.49 - - - -
8 · 1313 0.41 - - - -
9 · 1419 0.39 - - - -
10 ★ 2858 0.28 Literatuur-ondersteunde toewijzing De band bij 2858 cm-1 is toegewezen aan alkyl/aliphatic C-H vibration[RC471]. [RC471] LLM-vertrouwen
11 ★ 1019 0.23 Analoge literatuurtoewijzing De band bij 1019 cm-1 is toegewezen aan C-O vibration[S1][S4]. [S1], [S4] Algehele betrouwbaarheid
12 · 951 0.19 - - - -
13 · 465 0.09 - - - -
14 · 833 0.08 - - - -
15 · 756 0.07 - - - -
16 ★ 3535 0.06 Literatuur-ondersteunde toewijzing De band bij 3535 cm-1 is toegewezen aan hydroxyl O-H vibration[S6]. [S6] Algehele betrouwbaarheid
17 · 591 0.05 - - - -
18 · 2676 0.04 - - - -
Literature

References

No. Title DOI Page
[1] Taleb 等 - 2014 - Electrochemical and In Situ FTIR Study of o-Cresol - -
[2] Sosulin 等 - 2017 - Communication A hydrogen-bonded difluorocarbene c - -
[3] Narayanan 等 - 2022 - A Novel Insight Into the Fabrication of Polyhydrox - -
[4] Gupta 等 - 2018 - Effects of Amphiphilic Chitosan on Stereocomplexat - -
[5] Guemache 等 - 2022 - Properties and Characteristic of Perovskite Type C - -
[6] Goyal 等 - 2019 - Hetero-Polysaccharides Secreted from Dunaliella sa - -
[7] Dhayalan 等 - 2021 - Eco friendly synthesis and characterization of zin - -
[8] Arya 和 Sharma - 2018 - Structural, microstructural and electrochemical pr - -
[9] Al Jedani 等 - 2021 - Image fusion of IR and optical microscopy for mapp - -
[10] Akhlaq 和 Uroos - 2023 - Evaluating the Impact of Cellulose Extraction via - -
[11] Adiani 等 - 2020 - Microbial quality assessment of minimally processe - -
[12] Abdolahi 等 - 2012 - Synthesis of Uniform Polyaniline Nanofibers throug - -
[13] Mao 等 - 2020 - Bola-amphiphile-imidazole embedded GO membrane wit - -
[14] Giuliano 等 - 2010 - Infrared Spectra and Photochemistry of Matrix-Isol - -
[15] Aritonang 等 - 2019 - Grafting of Oleic Acid On Cyclic Natural Rubber Re - -
[16] Adeyi 等 - 2019 - Adsorption of Malachite Green Dye from Liquid Phas - -
[17] Asghar 等 - 2011 - Comparative Solid Phase Photocatalytic Degradation - -
[S1] Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton - 12
[S4] Mikolaszek 等 - 2022 - Microscopic and Spectroscopic Imaging and Thermal - 9
[S6] Sansonetti 等 - 2016 - Hidden colours in stuccowork damaged by fire A mu - 9
[RC238] Saadon 和 Osman - 2023 - Effect of Drying Pretreatment on Cellulolytic Enzy - 6
[RC471] Timar 和 Beldean - 2022 - Modification of Shellac with Clove (Eugenia caryop - 7
[RC1262] Yu 等 - 2018 - Investigation on the Short-Term Aging-Resistance o - 8
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): [(400, 4000)]

Raw spectrum without baseline correction or other processing:

Sample spectrum image
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