結果頁面

oxygenated aromatic organic material with ether or alcohol functionality

請查看上方報告。如果需要後續討論,請使用下方的評論。

結果編號: 20250623143940123272531 擁有者: Mainge 評論: 0
FTIR 分析報告

oxygenated aromatic organic material with ether or alcohol functionality

樣本與測量參數

報告編號 20250623143940123272531
日期 2025-06-23 06:42:58
光譜範圍 (cm⁻¹) [(650, 4000)]
基線 已停用
資料庫比對 0%

鑑定結果

0%

FTIR 證據不支持將該光譜明確歸屬於譜庫最佳匹配 2-Bromo-1,1-diethoxyethane。相反,所觀測到的光譜更合理地描述為含有醚和/或醇官能基的含氧芳香族有機材料。此結論受到以下特徵支持:O-H 或 N-H 伸縮振動帶約 3292 cm⁻¹、強 C-O 區域吸收峰在 1018、1075、1148 和 1284 cm⁻¹、芳香環譜帶在 1607 和 1518 cm⁻¹,以及芳香 C-H 面外彎曲振動帶約 762 cm⁻¹。參考譜庫比較本身非常微弱,所有報導的相似度均為 0.000,且沒有直接或相關的文獻證據能進一步縮小鑑定範圍。

詳細解讀

  • 最佳庫匹配: 2-Bromo-1,1-diethoxyethane #382
  • The assigned library hit, 2-Bromo-1,1-diethoxyethane, is a non-aromatic acetal-type molecule, but the sample shows aromatic-ring bands at 1607 and 1518 cm-1.
  • No clear evidence specifically supports a brominated compound; the spectrum does not provide characteristic identifying support for C-Br assignment here.
  • Library matching is not reliable in this case because the top candidate and all listed alternatives have reported similarity values of 0.000.
  • The broad 3292 cm-1 band could reflect an alcohol, phenol, absorbed moisture, or another hydrogen-bonded functionality, S-O the exact oxygenated group cannot be fixed from the current evidence alone.
  • The aromatic substitution pattern cannot be assigned confidently from the present peak list alone.
  • Because the library pattern is weak and chemically heterogeneous, the spectrum cannot be narrowed honestly to a single compound or specific commercial material.

建議的下一步: Recollect the FTIR spectrum with full band shapes and baseline-corrected data to confirm whether the 3292 cm-1 feature is a true sample O-H band or environmental moisture. Check for repeatability of the aromatic bands at 1607, 1518, and 762 cm-1 to verify that the aromatic component is intrinsic to the sample. Acquire complementary Raman, GC-MS, or LC-MS data if the sample is a small molecule or mixture, since FTIR alone does not support the current top library identity. If this is a solid or formulated material, compare against reference spectra of oxygenated aromatic materials such as phenoxy-, aryl-ether-, or phenolic-containing compounds rather than relying on the present low-confidence library hit.

資料庫比對

匹配群組:
資料庫光譜將顯示於此。

資料庫搜尋結果 — 前15名候選

排名 匹配% 化合物 SMILES 光譜編號 動作
正在載入資料庫候選...

波峰分析

★ = 文獻支持的分配
# 波數 (cm⁻¹) 吸光度 分配 引用 歸屬狀態
1 · 1018 1.00 - - -
2 · 1075 0.66 - - -
3 · 1148 0.47 - - -
4 · 3292 0.41 - - -
5 · 762 0.41 - - -
6 · 1370 0.32 - - -
7 · 1284 0.31 - - -
8 · 1607 0.27 - - -
9 · 2927 0.23 - - -
10 · 1518 0.16 - - -

附錄 — 原始光譜

原始樣品光譜
生成者 FTIR.fun — 報告 #20250623143940123272531 2025-06-23 06:42:58
討論

評論與後續證據

使用此區域繼續解讀、提問或新增額外驗證證據。

提交需求 表單