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FTIR 分析報告

FTIR 光譜分析報告

編號： 20250729045546460431846 日期: 報告者: FTIR.fun 聯絡: [email protected]

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前15名

相似度排序的 Top-15 資料庫比較

譜庫光譜將顯示在此處。
譜庫光譜 互動式樣品曲線 移動指標以顯示垂直引導線。
前15個候選

參考資料庫候選項

排名 匹配 % 化合物名稱 分子式 / SMILES 譜庫預覽 行動
使用此 Top-15 工作台載入參考候選項

基於庫匹配和上述證據。

結論

Organic compound with alkene/aromatic unsaturation and hydroxy/phenolic functionalities, likely containing nitrogen

LLM信心
結論
  1. Direct literature evidence explicitly relates the bands at 1610, 1280, 1378, 754, 3176, and 3539 cm-1 to C=C, alkyl C-H, C-H bending, C-N, phenolic, and hydroxyl groups, respectively, in various organic and hybrid materials [1–6].
  2. The top-15 library consensus features alkene and methyl as the dominant chemical motifs, reinforcing the unsaturated hydrocarbon character of the sample.
  3. The band at 1610 cm-1 is assigned to a C=C double bond vibration, consistent with the explicit report of this mode by Nardi et al. (2013) for a UV‑cured polymer nanocomposite [1].
證據與解釋
證據

關鍵證據

資料庫主要匹配
propan-2-yl nitrate #370
限制

限制結論的證據

  • The library top match propan-2-yl nitrate is very weak (similarity 0.0, 15% confidence), and characteristic nitrate ester bands (e.g., N-O stretch near 860 cm-1) are absent from the sample spectrum, making this specific identification unsupported.
  • The C-N assignment at 754 cm-1 originates from a study on mineral‑doped silica gel, and its direct relevance to an organic‑matrix sample is uncertain.
  • The analogical literature evidence for C-N stretching at 1280 cm-1 from cross‑linked PVA hybrid membranes is only suggestive and cannot be taken as a definitive assignment.
  • Many of the cited literature sources deal with materials (polymers, nanoparticles, biological extracts, mineral composites) that may differ significantly from the composition of the current sample, reducing the transferable certainty of the peak assignments.
  • The exact nature of the unsaturation (aliphatic C=C vs. aromatic ring) cannot be determined without additional characteristic bands, such as aromatic C-H stretches above 3000 cm-1 or ring‑breathing modes in the 1450–1600 cm-1 region.
建議

建議的下一個驗證

  • To reduce the present uncertainty, obtain a higher‑resolution spectrum, especially in the fingerprint region (400–1500 cm-1), to search for weaker but structurally indicative bands.
  • Complementary analysis by mass spectrometry or nuclear magnetic resonance spectroscopy is recommended to confirm the presence of nitrogen and to resolve whether the unsaturation is olefinic or aromatic.
  • If the sample is a known reaction product or mixture, comparison with a verified reference standard of the suspected compound would greatly improve the reliability of the peak assignments.
峰值分析

檢測到的峰值與解讀

★ = 文獻支持的峰歸屬。

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索引 特徵 波數 吸光度 證據 單行解讀 引用 置信度
1 ★ 1378 1.00 文獻支援的分配 波峰 1378 cm-1 被指派為 C-H asymmetric + symmetric bending。 [3] LLM信心
2 ★ 1610 0.37 文獻支援的分配 波峰 1610 cm-1 被指派為 c=c double bond。 [1] LLM信心
3 ★ 1280 0.29 文獻支援的分配 波峰 1280 cm-1 被指派為 alkyl C-H vibration。 [6] LLM信心
4 ★ 3539 0.17 類比文獻指派 波峰 3539 cm-1 被指派為 O-H stretching (hydroxyl)。 [8] 整體信賴度
5 ★ 754 0.13 文獻支援的分配 波峰 754 cm-1 被指派為 c n single bond。 [1] -
6 ★ 3176 0.12 文獻支援的分配 波峰 3176 cm-1 被指派為 phenolic。 [7] 整體信賴度
文獻

參考文獻

否 標題 DOI 頁
[1] Nardi 等 - 2013 - UV-cured transparent magnetic polymer nanocomposit 10.1016/j.polymer.2013 -
[2] El Felss 等 - 2020 - Structural study of the effect of mineral additive 10.1007/s10971-020-05385-x -
[3] Cebi - 2021 - Quantification of the Geranium Essential Oil, Palm 10.3390/foods10081848 -
[4] Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton 10.3390/coatings11101181 12
[5] Ashraf 等 - 2022 - Novel Silica Functionalized Monosodium GlutamateP 10.21203/rs.3.rs-283846/v1 28
[6] Tyubaeva 等 - 2023 - Development of Nonwoven Fibrous Materials Based on 10.3390/polym15153167 7
[7] Roy 等 - 2020 - Exploring the Inclusion Complex of a Drug (Umbelli 10.1021/acsomega.0c04716 3
[8] Mosenfelder 等 - 2022 - Coupled hydrogen and fluorine incorporation in gar 10.2138/am-2021-7880 62
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附錄

樣品資訊與原始光譜

原始上傳光譜，供參考和驗證。

基線校正方法: 非對稱最小平方法平滑

分析用的波長範圍(cm-1): N/A

未經基線校正或其他處理的原始光譜:

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