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普通的FTIR證據不支持可靠的化合物特定歸屬。該光譜更安全地描述為一種芳香有機材料,可能含有苯環取代和脂肪族C-H基團,以及可能反映C-O和/或C-N單鍵功能的額外指紋區帶。由於譜庫搜索普遍低置信度,且沒有直接或相關的文獻證據縮小結果,領先譜庫名稱應僅視為最近的存儲匹配,而非樣品的鑑定。
建議的下一步: 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 | 光譜編號 | 動作 |
|---|---|---|---|---|---|
| 正在載入資料庫候選... | |||||
| # | 波數 (cm⁻¹) | 吸光度 | 分配 | 引用 | 歸屬狀態 | |
|---|---|---|---|---|---|---|
| 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 | - | - | - |
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