FTIR.fun FTIR.fun Làm cho phân tích FTIR dễ dàng hơn
TRANG KẾT QUẢ

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

Xem báo cáo ở trên. Sử dụng các bình luận bên dưới nếu cần thảo luận thêm.

Số kết quả: 20260528100755416137536 Chủ sở hữu: hunterhudzik Bình luận: 0
  • Translating report into Tiếng Việt. English is shown for now.
FTIR ANALYSIS REPORT

FTIR Spectrum Analysis Report

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

Download a professional, formatted PDF of this analysis.

Top15

Similarity-ranked Top-15 library comparison

Library spectrum will appear here.
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

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

Entity identified
Độ tin cậy tổng thể
#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

Kết quả khớp hàng đầu từ thư viện
Hexanedioic acid, polymer with 1,4-butanediol and 1,2-propanediol, dodecanoate #146255 | match 91.0%
Hướng vật liệu
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 Gán hỗ trợ bởi tài liệu Dải tại 1736 cm-1 được gán cho ester C=O/C-O vibration[S4][S6]. [S4], [S6] Độ tin cậy LLM
2 ★ 1176 0.82 Gán văn học tương tự Dải tại 1176 cm-1 được gán cho C-O vibration[S1][S4]. [S1], [S4] Độ tin cậy LLM
3 ★ 1241 0.71 Gán hỗ trợ bởi tài liệu Dải tại 1241 cm-1 được gán cho C-O vibration[RC238]. [RC238] Độ tin cậy LLM
4 ★ 1084 0.65 Gán văn học tương tự Dải tại 1084 cm-1 được gán cho C-O vibration[S1][S4]. [S1], [S4] Độ tin cậy tổng thể
5 · 1379 0.59 - - - -
6 ★ 2932 0.59 Gán hỗ trợ bởi tài liệu Dải tại 2932 cm-1 được gán cho alkyl/aliphatic C-H vibration[RC1262]. [RC1262] Độ tin cậy LLM
7 · 1458 0.49 - - - -
8 · 1313 0.41 - - - -
9 · 1419 0.39 - - - -
10 ★ 2858 0.28 Gán hỗ trợ bởi tài liệu Dải tại 2858 cm-1 được gán cho alkyl/aliphatic C-H vibration[RC471]. [RC471] Độ tin cậy LLM
11 ★ 1019 0.23 Gán văn học tương tự Dải tại 1019 cm-1 được gán cho C-O vibration[S1][S4]. [S1], [S4] Độ tin cậy tổng thể
12 · 951 0.19 - - - -
13 · 465 0.09 - - - -
14 · 833 0.08 - - - -
15 · 756 0.07 - - - -
16 ★ 3535 0.06 Gán hỗ trợ bởi tài liệu Dải tại 3535 cm-1 được gán cho hydroxyl O-H vibration[S6]. [S6] Độ tin cậy tổng thể
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
Thảo luận

Bình luận và bằng chứng tiếp theo

Sử dụng khu vực này để tiếp tục giải thích, đặt câu hỏi hoặc thêm bằng chứng xác minh bổ sung.

  • Trang 1 của 1
Trả lời
CHỦ ĐỀ LIÊN QUAN

Các phân tích khác trong danh mục này

Gửi Yêu cầu Biểu mẫu