结果页面

Oxygenated material: inorganic sulfate hydrate or organic polyether/glycol

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结果编号: 20260120132404746729903 所有者: publicuser 评论: 0
FTIR分析报告 总体置信度

Oxygenated material: inorganic sulfate hydrate or organic polyether/glycol

样品与测量参数

报告编号 20260120132404746729903
日期
光谱范围 (cm⁻¹) N/A
基线 AsLS基线校正
库匹配 70%

鉴定结果

70%

FTIR光谱主要由1112 cm⁻¹处的单一强吸收峰主导。谱库匹配建议为十二水合硫酸铝铵,但排名靠前的候选物还包括聚(乙烯基甲基醚)和聚乙二醇。1112 cm⁻¹处的谱带既符合硫酸根离子的非对称S=O伸缩振动(如明矾中所预期),也符合脂肪族醚的C–O–C对称伸缩振动(聚醚的典型特征)。因此,该材料可大致归类为富氧化合物,可能是无机硫酸盐水合物或有机聚醚/二醇,但由于仅有一个可用峰,无法做出更明确的归属。建议下一步:记录完整的中红外光谱,特别是O–H/N–H伸缩区域(3000–3700 cm⁻¹)和指纹区域(400–1500 cm⁻¹),将有助于明确该材料是水合硫酸盐(存在水O–H伸缩振动、硫酸根ν3谱带形状)还是有机聚醚(烷基C–H伸缩振动,缺乏强硫酸根谱带)。建议辅以X射线衍射、元素分析或拉曼光谱等技术来确认确切的化学性质。此任务未选择FTIR深度解读,因此本节仅显示谱库搜索结果,未进行深度AI解读。

详细解读

  • 最佳库匹配: aluminum azanium disulfate dodecahydrate #15352
  • The inorganic alum compounds and organic polymers represent fundamentally different material classes; the spectrum alone cannot discriminate between them.
  • The single band at 1112 cm⁻¹ lacks companion absorptions (e.g., O–H/N–H stretching above 3000 cm⁻¹, fingerprint patterns) necessary to distinguish sulfate from ether.
  • With only one prominent peak, the material identity remains ambiguous; both sulfate and ether functionalities are plausible.
  • The library similarity score (0.73) is moderate, and the gap to the next candidate is very small (0.007), allowing multiple chemical interpretations.

推荐的后续步骤: Recording the full mid-IR spectrum, particularly the O–H/N–H stretching region (3000–3700 cm⁻¹) and the fingerprint region (400–1500 cm⁻¹), would clarify whether the material is a hydrated sulfate (presence of water O–H stretch, sulfate ν3 band shape) or an organic polyether (alkyl C–H stretches, absence of strong sulfate bands). Supplementary techniques such as X-ray diffraction, elemental analysis, or Raman spectroscopy are advised to confirm the exact chemical nature.

库对比

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 · 1112 1.00 - - -

附录——原始光谱

原始样本光谱
生成者 FTIR.fun — 报告 #20260120132404746729903
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