結果頁面

substituted aromatic organic material with strong fingerprint-region bands, possibly containing halogenated and/or vinyl-type functionality

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結果編號: 20250701084042496565491 擁有者: publicuser 評論: 0
FTIR 分析報告

substituted aromatic organic material with strong fingerprint-region bands, possibly containing halogenated and/or vinyl-type functionality

樣本與測量參數

報告編號 20250701084042496565491
日期 2025-07-01 00:43:13
光譜範圍 (cm⁻¹) [(650, 4000)]
基線 AsLS基線校正
資料庫比對 0%

鑑定結果

0%

當前的FTIR結果不支持可靠的化合物級別歸屬。最接近的譜庫匹配是1,2,4,5-四氟-3,6-雙(三氟甲基)苯,但匹配信心實際上不存在,且更廣泛的頂級譜庫模式化學上不一致。觀測到的光譜最好保守描述為取代芳香族有機物,顯示出若干強指紋區吸收,可能來自鹵化及/或不飽和側基振動的貢獻。這是一個化學上可行的方向,但並非確定性鑑定。

詳細解讀

  • 最佳庫匹配: 1,2,4,5-四氟-3,6-雙(三氟甲基)苯 #247
  • The proposed library compound 1,2,4,5-tetrafluoro-3,6-bis(trifluoromethyl)benzene is not strongly supported because the retrieval confidence is zero.
  • A fully fluorinated aromatic assignment is limited by the presence of a clear 2965 cm⁻1 aliphatic C-H stretch.
  • The Top-15 candidates are chemically heterogeneous, including acetate, styrenic polymer, silane, aromatic hydrocarbons, sulfur-oxygen heterocycle, and amines, which weakens any narrow library-based conclusion.
  • The available evidence does not distinguish whether the 1078-1254 cm⁻1 bands arise mainly from C-F, C-O, vinyl-associated, or other substituted-ring vibrations.
  • Substitution pattern on the aromatic ring cannot be assigned confidently from the present peak list alone.
  • The data provided do not show enough corroborating high-confidence library or literature agreement to decide between a small aromatic molecule, an aromatic-containing polymer, or a mixed organic residue.

建議的下一步: Acquire and review the full FTIR spectrum shape and relative intensities, especially in the 1000-1300 cm⁻1 and 2800-3100 cm⁻1 regions, to separate C-F/C-O contributions from ordinary hydrocarbon and vinyl features. Check for additional aromatic overtone and combination bands in the 1600-2000 cm⁻1 region and for any weak C=C or carbonyl features that may have been omitted from the peak list. If the sample origin allows it, compare against targeted reference spectra for substituted styrenic materials, halogenated aromatic compounds, and allylic or vinyl-containing organics rather than relying on the current broad low-match library search. Use a complementary method such as Raman, GC-MS, or pyrolysis-GC-MS if compound identity or polymer/additive discrimination is required.

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 · 741 1.00 - - -
2 · 767 0.85 - - -
3 · 895 0.69 - - -
4 · 690 0.64 - - -
5 · 949 0.59 - - -
6 · 794 0.49 - - -
7 · 1167 0.34 - - -
8 · 1254 0.28 - - -
9 · 1078 0.25 - - -
10 · 1494 0.15 - - -
11 · 1454 0.14 - - -
12 · 2965 0.12 - - -
13 · 1515 0.10 - - -

附錄 — 原始光譜

原始樣品光譜
生成者 FTIR.fun — 報告 #20250701084042496565491 2025-07-01 00:43:13
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