HALAMAN KEPUTUSAN

oxygenated aromatic organic material with ether or alcohol functionality

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No. Keputusan: 20250623143940123272531 Pemilik: Mainge Komen: 0
Laporan Analisis FTIR

oxygenated aromatic organic material with ether or alcohol functionality

Parameter Sampel & Pengukuran

Laporan No. 20250623143940123272531
Tarikh 2025-06-23 06:42:58
Julat Spektrum (cm⁻¹) [(650, 4000)]
Garisan dasar Dilumpuhkan
Padanan perpustakaan 0%

Keputusan Pengenalan

0%

Bukti FTIR tidak menyokong penetapan yang kukuh kepada padanan teratas perpustakaan spektrum, 2-Bromo-1,1-diethoxyethane. Sebaliknya, spektrum yang diperhatikan lebih sesuai digambarkan sebagai bahan organik aromatik beroksigen yang mengandungi kefungsian eter dan/atau alkohol. Hala tuju ini disokong oleh jalur regangan O-H atau N-H berhampiran 3292 cm-1, serapan kawasan C-O yang kuat pada 1018, 1075, 1148, dan 1284 cm-1, jalur gelang aromatik pada 1607 dan 1518 cm-1, dan jalur C-H aromatik di luar satah berhampiran 762 cm-1. Perbandingan perpustakaan rujukan itu sendiri sangat lemah, dengan semua persamaan yang dilaporkan pada 0.000 dan tiada bukti literatur langsung atau berkaitan yang menyempitkan pengenalpastian selanjutnya.

Tafsiran terperinci

  • Padanan perpustakaan teratas: 2-Bromo-1,1-diethoxyethane #382
  • The assigned library hit, 2-Bromo-1,1-diethoxyethane, is a non-aromatic acetal-type molecule, but the sample shows aromatic-ring bands at 1607 and 1518 cm-1.
  • No clear evidence specifically supports a brominated compound; the spectrum does not provide characteristic identifying support for C-Br assignment here.
  • Library matching is not reliable in this case because the top candidate and all listed alternatives have reported similarity values of 0.000.
  • The broad 3292 cm-1 band could reflect an alcohol, phenol, absorbed moisture, or another hydrogen-bonded functionality, S-O the exact oxygenated group cannot be fixed from the current evidence alone.
  • The aromatic substitution pattern cannot be assigned confidently from the present peak list alone.
  • Because the library pattern is weak and chemically heterogeneous, the spectrum cannot be narrowed honestly to a single compound or specific commercial material.

Langkah seterusnya yang disyorkan: Recollect the FTIR spectrum with full band shapes and baseline-corrected data to confirm whether the 3292 cm-1 feature is a true sample O-H band or environmental moisture. Check for repeatability of the aromatic bands at 1607, 1518, and 762 cm-1 to verify that the aromatic component is intrinsic to the sample. Acquire complementary Raman, GC-MS, or LC-MS data if the sample is a small molecule or mixture, since FTIR alone does not support the current top library identity. If this is a solid or formulated material, compare against reference spectra of oxygenated aromatic materials such as phenoxy-, aryl-ether-, or phenolic-containing compounds rather than relying on the present low-confidence library hit.

Perbandingan Perpustakaan

Kumpulan padanan:
Spektrum perpustakaan akan muncul di sini.

Keputusan Carian Perpustakaan — 15 Calon Teratas

Kedudukan Padanan % Sebatian SMILES No. Spektrum Tindakan
Memuatkan calon perpustakaan...

Analisis Puncak

★ = Tugasan disokong literatur
# Nombor gelombang (cm⁻¹) Absorbans Tugasan Petikan Status penetapan
1 · 1018 1.00 - - -
2 · 1075 0.66 - - -
3 · 1148 0.47 - - -
4 · 3292 0.41 - - -
5 · 762 0.41 - - -
6 · 1370 0.32 - - -
7 · 1284 0.31 - - -
8 · 1607 0.27 - - -
9 · 2927 0.23 - - -
10 · 1518 0.16 - - -

Lampiran — Spektrum Mentah

Spektrum sampel mentah
Dihasilkan oleh FTIR.fun — Laporan #20250623143940123272531 2025-06-23 06:42:58
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