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常规FTIR证据不支持可靠的化合物特异性分配。该光谱更安全地描述为芳香有机材料,可能含有苯环取代和脂肪族C-H基团,以及额外的指纹区带,这些带可能反映C-O和/或C-N单键功能。由于谱库搜索普遍低置信度,且没有直接或相关文献证据缩小结果,主要谱库名称应仅视为最近似的存储匹配,而非样品的鉴定。
推荐的后续步骤: Verify whether the sample contains oxygenated functionality by checking for a clear O-H or carbonyl band in a repeat FTIR run collected with improved baseline and full-range coverage. Compare against targeted reference spectra for alkyl-substituted benzenes, aromatic alcohols/ethers, and aromatic amines rather than relying on the current global top hit. Use complementary GC-MS or LC-MS if the sample is extractable, to determine whether it is a single aromatic compound or a mixture. If polymer or coating origin is suspected, collect ATR-FTIR from multiple spots and compare with known styrenic and phenyl-containing material references.
| 排名 | 匹配% | 化合物 | SMILES | 光谱编号 | 操作 |
|---|---|---|---|---|---|
| 正在加载数据库候选... | |||||
| # | 波数 (cm⁻¹) | 吸光度 | 归属 | 引用 | 归属状态 | |
|---|---|---|---|---|---|---|
| 1 | · | 691 | 1.00 | - | - | - |
| 2 | · | 728 | 0.97 | - | - | - |
| 3 | · | 1027 | 0.76 | - | - | - |
| 4 | · | 741 | 0.74 | - | - | - |
| 5 | · | 768 | 0.66 | - | - | - |
| 6 | · | 795 | 0.62 | - | - | - |
| 7 | · | 1133 | 0.60 | - | - | - |
| 8 | · | 844 | 0.31 | - | - | - |
| 9 | · | 1260 | 0.26 | - | - | - |
| 10 | · | 1495 | 0.23 | - | - | - |
| 11 | · | 1454 | 0.17 | - | - | - |
| 12 | · | 1429 | 0.16 | - | - | - |
| 13 | · | 2964 | 0.12 | - | - | - |
| 14 | · | 3025 | 0.12 | - | - | - |
| 15 | · | 1515 | 0.11 | - | - | - |
| 16 | · | 1604 | 0.10 | - | - | - |
使用此区域继续解读、提问或添加额外验证证据。
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