查看上面的报告。如果需要后续讨论,请使用下方的评论。
该光谱未能被确认为6-Chlorohexan-1-ol。常规FTIR搜索返回该谱库条目作为最接近的命名候选,但所有报告的相似度均为0.000,且没有直接或相关的文献证据独立支持该具体指认。观察到的谱带更安全地解释为一种显示强O-H吸收的脂肪族含氧有机材料,目前最符合醇或多醇类样品,而非一个确凿的氯化醇。
推荐的后续步骤: Recollect the FTIR spectrum with confirmed background subtraction and full band-shape review, especially in the 3600-3000 and 1200-900 cm-1 regions, to confirm whether the O-H envelope is broad and whether the C-O bands are internally consistent with a monoalcohol or polyol. Check specifically for characteristic C-Cl absorption in the lower fingerprint region below the currently listed peaks before accepting any chlorinated alcohol assignment. If available, run GC-MS or LC-MS to determine whether the sample is a single low-molecular-weight oxygenated compound or a mixture. Acquire complementary NMR, particularly 1H and 13C NMR, to distinguish a simple aliphatic alcohol from a diol or other oxygenated material.
| 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 | · | 2969 | 1.00 | - | - | - |
| 2 | · | 2930 | 0.96 | - | - | - |
| 3 | · | 2867 | 0.89 | - | - | - |
| 4 | · | 3362 | 0.83 | - | - | - |
| 5 | · | 3301 | 0.76 | - | - | - |
| 6 | · | 3323 | 0.74 | - | - | - |
| 7 | · | 3194 | 0.71 | - | - | - |
| 8 | · | 1058 | 0.44 | - | - | - |
| 9 | · | 919 | 0.43 | - | - | - |
| 10 | · | 969 | 0.43 | - | - | - |
| 11 | · | 1135 | 0.36 | - | - | - |
| 12 | · | 1374 | 0.32 | - | - | - |
| 13 | · | 1461 | 0.27 | - | - | - |
| 14 | · | 1604 | 0.27 | - | - | - |
| 15 | · | 1338 | 0.24 | - | - | - |
| 16 | · | 1189 | 0.14 | - | - | - |
使用此区域继续解读、提问或添加额外验证证据。
FTIR.fun
The above shows the FTIR analysis results of a jpeg file uploaded by a user from USA. The original image is displayed below.
CSV FILE:tem.csv
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