請查看上方報告。如果需要後續討論,請使用下方的評論。
目前的FTIR結果不支持明確的化合物層級歸屬。譜庫中最接近的命名命中是1-Bromo-3-methylbenzene,但所有報告的譜庫相似度均為0.000,且沒有直接或相關的文獻證據縮小鑑定範圍。基於觀察到的有限譜帶(集中在652–716 cm-1)以及廣泛的Top-15譜庫模式,最化學上支持的方向是鹵代芳香族材料,而非具體化合物。
建議的下一步: Acquire the full FTIR spectrum, especially the 4000–1500 cm-1 and 1500–800 cm-1 regions, to check for aromatic C-H stretching, ring C=C bands, and any heteroatom-containing functional groups. Compare the sample directly against authentic spectra of 1-Bromo-3-methylbenzene and closely related halogenated aromatics to test whether the fingerprint pattern aligns beyond the 652–716 cm-1 region. If compound-level identification is needed, confirm halogen content and aromatic substitution by GC-MS or LC-MS, and use NMR if sufficient sample is available. If the sample may be a formulated or polymeric material, collect complementary data such as Raman or elemental analysis to determine whether the halogenated aromatic signature belongs to an additive rather than the bulk material.
| 排名 | 匹配% | 化合物 | SMILES | 光譜編號 | 動作 |
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| 正在載入資料庫候選... | |||||
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FTIR.fun
The above shows the FTIR analysis results of a pdf file uploaded by a user from India. The original image and extracted CSV file are displayed below.
tem.csv
en&2