结果页面

aliphatic alcohol or polyol-type organic material with strong O-H functionality

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结果编号: 20250715145905394837700 所有者: publicuser 评论: 1
FTIR分析报告

aliphatic alcohol or polyol-type organic material with strong O-H functionality

样品与测量参数

报告编号 20250715145905394837700
日期 2025-07-17 01:16:21
光谱范围 (cm⁻¹) [(650, 4000)]
基线 AsLS基线校正
库匹配 0%

鉴定结果

0%

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。

详细解读

  • 最佳库匹配: 6-Chlorohexan-1-ol #115
  • The library match quality is extremely weak: the top candidate and all other listed candidates have similarity reported as 0.000.
  • No related-literature evidence supports a stable assignment to a particular named material.
  • The spectrum does not provide clear supporting evidence here for a specific C-Cl assignment, S-O the chlorinated part of 6-Chlorohexan-1-ol is not established from the present evidence packet.
  • The 1604 cm-1 feature is not well explained by a simple saturated chlorinated alcohol and may indicate additional chemistry, contamination, or a different material class.
  • The current evidence supports only a broad direction of an aliphatic alcohol or polyol-type organic material.
  • It remains unclear whether the sample is a monoalcohol, diol, mixed oxygenated compound, or a mixture.
  • The significance of the 919 and 969 cm-1 bands is uncertain from the present packet and could reflect additional substitution or unsaturation.
  • Because the retrieval is low-match and literature support is absent, a firm entity-level identification is not justified.

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.

库对比

匹配组:
谱库光谱将显示在此处。

库搜索结果——前15个候选

排名 匹配% 化合物 SMILES 光谱编号 操作
正在加载数据库候选...

峰值分析

★ = 文献支持的指认
# 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 - - -

附录——原始光谱

原始样本光谱
生成者 FTIR.fun — 报告 #20250715145905394837700 2025-07-17 01:16:21
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The above shows the FTIR analysis results of a jpeg file uploaded by a user from USA. The original image is displayed below.20250715145905394837700.jpeg CSV FILE:tem.csv

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