结果页面

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

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结果编号: 20250701084042496565491 所有者: publicuser 评论: 0
FTIR分析报告

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

样品与测量参数

报告编号 20250701084042496565491
日期 2025-07-01 00:43:13
光谱范围 (cm⁻¹) [(650, 4000)]
基线 AsLS基线校正
库匹配 0%

鉴定结果

0%

当前FTIR结果不支持可靠的化合物级分配。最近的谱库匹配是1,2,4,5-四氟-3,6-双(三氟甲基)苯,但匹配置信度实际上不存在,且更广泛的排名最高的谱库模式在化学上不一致。观测到的光谱更适合保守描述为一种取代芳香有机材料,显示出多个强指纹区吸收,可能含有卤代和/或不饱和侧基振动。这是一个化学上可支持的方向,但不是确定的鉴定结果。

详细解读

  • 最佳库匹配: 1,2,4,5-tetrafluoro-3,6-bis(trifluoromethyl)benzene #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.

推荐的后续步骤: 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.

库对比

匹配组:
谱库光谱将显示在此处。

库搜索结果——前15个候选

排名 匹配% 化合物 SMILES 光谱编号 操作
正在加载数据库候选...

峰值分析

★ = 文献支持的指认
# 波数 (cm⁻¹) 吸光度 归属 引用 归属状态
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 - - -

附录——原始光谱

原始样本光谱
生成者 FTIR.fun — 报告 #20250701084042496565491 2025-07-01 00:43:13
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