結果頁面

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

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結果編號: 20250715145905394837700 擁有者: publicuser 評論: 1
FTIR 分析報告

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

樣本與測量參數

報告編號 20250715145905394837700
日期 2025-07-17 01:16:21
光譜範圍 (cm⁻¹) [(650, 4000)]
基線 AsLS基線校正
資料庫比對 0%

鑑定結果

0%

該光譜未被明確鑑定為6-Chlorohexan-1-ol。常規FTIR搜索返回該譜庫條目為最近似的命名候選,但所有報告的相似度均為0.000,且沒有直接或相關的文獻證據獨立支持該特定歸屬。觀察到的譜帶更安全地解釋為脂肪族含氧有機材料,顯示強烈的O-H吸收,目前最符合醇或多元醇類樣品,而非確定的氯化醇。

詳細解讀

  • 最佳庫匹配: 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.

建議的下一步: 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.

資料庫比對

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資料庫光譜將顯示於此。

資料庫搜尋結果 — 前15名候選

排名 匹配% 化合物 SMILES 光譜編號 動作
正在載入資料庫候選...

波峰分析

★ = 文獻支持的分配
# 波數 (cm⁻¹) 吸光度 分配 引用 歸屬狀態
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 - - -

附錄 — 原始光譜

原始樣品光譜
生成者 FTIR.fun — 報告 #20250715145905394837700 2025-07-17 01:16:21
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