FTIR.fun FTIR.fun FTIR 智能平台
  • 报告正在翻译为简体中文。目前显示英文。
FTIR分析报告

FTIR光谱分析报告

编号： 20250729045546460431846 日期: 报告人：: FTIR.fun 联系: [email protected]

下载此分析的专业PDF

前15

按相似度排名前15的库比较

谱库光谱将显示在此处。
谱库光谱 交互式样品曲线 移动指针以显示垂直引导线。
前15个候选

参考库候选

排名 匹配 % 化合物名称 分子式 / SMILES 谱库预览 操作
候选参考谱随此Top-15工作台一同加载。

基于上述库匹配和证据。

结论

Organic compound with alkene/aromatic unsaturation and hydroxy/phenolic functionalities, likely containing nitrogen

LLM置信度
结论
  1. Direct literature evidence explicitly relates the bands at 1610, 1280, 1378, 754, 3176, and 3539 cm-1 to C=C, alkyl C-H, C-H bending, C-N, phenolic, and hydroxyl groups, respectively, in various organic and hybrid materials [1–6].
  2. The top-15 library consensus features alkene and methyl as the dominant chemical motifs, reinforcing the unsaturated hydrocarbon character of the sample.
  3. The band at 1610 cm-1 is assigned to a C=C double bond vibration, consistent with the explicit report of this mode by Nardi et al. (2013) for a UV‑cured polymer nanocomposite [1].
证据与解释
证据

关键证据

库主匹配
propan-2-yl nitrate #370
限制

限制结论的证据

  • The library top match propan-2-yl nitrate is very weak (similarity 0.0, 15% confidence), and characteristic nitrate ester bands (e.g., N-O stretch near 860 cm-1) are absent from the sample spectrum, making this specific identification unsupported.
  • The C-N assignment at 754 cm-1 originates from a study on mineral‑doped silica gel, and its direct relevance to an organic‑matrix sample is uncertain.
  • The analogical literature evidence for C-N stretching at 1280 cm-1 from cross‑linked PVA hybrid membranes is only suggestive and cannot be taken as a definitive assignment.
  • Many of the cited literature sources deal with materials (polymers, nanoparticles, biological extracts, mineral composites) that may differ significantly from the composition of the current sample, reducing the transferable certainty of the peak assignments.
  • The exact nature of the unsaturation (aliphatic C=C vs. aromatic ring) cannot be determined without additional characteristic bands, such as aromatic C-H stretches above 3000 cm-1 or ring‑breathing modes in the 1450–1600 cm-1 region.
建议

建议下一步验证

  • To reduce the present uncertainty, obtain a higher‑resolution spectrum, especially in the fingerprint region (400–1500 cm-1), to search for weaker but structurally indicative bands.
  • Complementary analysis by mass spectrometry or nuclear magnetic resonance spectroscopy is recommended to confirm the presence of nitrogen and to resolve whether the unsaturation is olefinic or aromatic.
  • If the sample is a known reaction product or mixture, comparison with a verified reference standard of the suspected compound would greatly improve the reliability of the peak assignments.
峰分析

检测到的峰和解释

★ = 文献支持的峰归属。

需要正式措辞和手动审查吗？ 升级到审查报告
索引 特征 波数 吸光度 证据 单行解释 引用 置信度
1 ★ 1378 1.00 文献支持的分配 在 1378 cm-1 处的谱带归属于 C-H asymmetric + symmetric bending。 [3] LLM置信度
2 ★ 1610 0.37 文献支持的分配 在 1610 cm-1 处的谱带归属于 c=c double bond。 [1] LLM置信度
3 ★ 1280 0.29 文献支持的分配 在 1280 cm-1 处的谱带归属于 alkyl C-H vibration。 [6] LLM置信度
4 ★ 3539 0.17 类比文献指派 在 3539 cm-1 处的谱带归属于 O-H stretching (hydroxyl)。 [8] 总体置信度
5 ★ 754 0.13 文献支持的分配 在 754 cm-1 处的谱带归属于 c n single bond。 [1] -
6 ★ 3176 0.12 文献支持的分配 在 3176 cm-1 处的谱带归属于 phenolic。 [7] 总体置信度
文献

参考文献

编号 标题 DOI 页面
[1] Nardi 等 - 2013 - UV-cured transparent magnetic polymer nanocomposit 10.1016/j.polymer.2013 -
[2] El Felss 等 - 2020 - Structural study of the effect of mineral additive 10.1007/s10971-020-05385-x -
[3] Cebi - 2021 - Quantification of the Geranium Essential Oil, Palm 10.3390/foods10081848 -
[4] Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton 10.3390/coatings11101181 12
[5] Ashraf 等 - 2022 - Novel Silica Functionalized Monosodium GlutamateP 10.21203/rs.3.rs-283846/v1 28
[6] Tyubaeva 等 - 2023 - Development of Nonwoven Fibrous Materials Based on 10.3390/polym15153167 7
[7] Roy 等 - 2020 - Exploring the Inclusion Complex of a Drug (Umbelli 10.1021/acsomega.0c04716 3
[8] Mosenfelder 等 - 2022 - Coupled hydrogen and fluorine incorporation in gar 10.2138/am-2021-7880 62
人工分析升级

需要正式的审查报告而不是标准结果页面吗？

当前结果页面和PDF导出是自动输出。我们的手动分析正式报告是一项独立的手动服务，可以优化措辞、检查峰归属和参考文献，并交付正式的报告包，用于出版草稿、客户报告或内部质量控制记录。

  • 手动审查峰值分配、参考文献和结论边界。
  • 用于与客户、同事或手稿草稿共享的正式报告措辞
  • 审查报告上的可选FTIR.fun电子印章确认

此审查报告是FTIR.fun确认文件。它不能替代认可实验室认证或法律/监管结论。

提交手动分析的正式报告

您的请求将链接到结果20250729045546460431846，因此您无需从头解释该结果。

附录

样品信息和原始光谱

用于参考和验证的原始上传谱图。

基线校正方法: 非对称最小二乘平滑

分析的波长范围(cm-1): N/A

未经基线校正或其他处理的原始光谱:

示例光谱图像
提交请求 表单