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譜庫最佳匹配是硼;鋰;七水合物,但匹配質量實際上為零,且整體前15名模式內部不一致,因此光譜不支持在實體層級進行確定的材料鑑定。觀察到的譜帶更符合一種廣泛的含氧有機材料,顯示脂肪族C-H伸縮、強羰基吸收和可能的含羥基官能團,而非命名的譜庫化合物。
建議的下一步: Re-run the FTIR after careful drying or purge control to determine whether the 3442-3699 cm⁻¹ region is intrinsic hydroxyl functionality or environmental water. Inspect the carbonyl region at higher spectral quality to determine whether the 1796/1727 cm⁻¹ pair is reproducible and whether it matches anhydride-, carbonate-, or ester-like splitting behavior. Check the 2119 cm⁻¹ feature in a background-subtracted repeat measurement to determine whether it is a real sample band or an artifact. If identification is important, compare against targeted reference spectra for oxygenated aliphatic materials with strong carbonyl and C-O bands rather than relying on the present low-confidence broad library hit.
| 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 | · | 1420 | 1.00 | - | - | - |
| 2 | · | 952 | 0.71 | - | - | - |
| 3 | · | 1118 | 0.69 | - | - | - |
| 4 | · | 1727 | 0.64 | - | - | - |
| 5 | · | 868 | 0.63 | - | - | - |
| 6 | · | 1270 | 0.60 | - | - | - |
| 7 | · | 1070 | 0.52 | - | - | - |
| 8 | · | 690 | 0.46 | - | - | - |
| 9 | · | 1003 | 0.46 | - | - | - |
| 10 | · | 2921 | 0.45 | - | - | - |
| 11 | · | 2929 | 0.45 | - | - | - |
| 12 | · | 1030 | 0.43 | - | - | - |
| 13 | · | 2955 | 0.41 | - | - | - |
| 14 | · | 732 | 0.39 | - | - | - |
| 15 | · | 2857 | 0.29 | - | - | - |
| 16 | · | 3442 | 0.23 | - | - | - |
| 17 | · | 3536 | 0.18 | - | - | - |
| 18 | · | 2119 | 0.13 | - | - | - |
| 19 | · | 2324 | 0.13 | - | - | - |
| 20 | · | 1796 | 0.12 | - | - | - |
| 21 | · | 3699 | 0.11 | - | - | - |
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