HALAMAN KEPUTUSAN

Substituted aromatic compound with hydroxyl, nitro, methyl, and possible chlorine substituents

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No. Keputusan: 20260420055616087266195 Pemilik: ashl Komen: 0
Laporan Analisis FTIR Keyakinan keseluruhan

Substituted aromatic compound with hydroxyl, nitro, methyl, and possible chlorine substituents

Parameter Sampel & Pengukuran

Laporan No. 20260420055616087266195
Tarikh
Julat Spektrum (cm⁻¹) N/A
Garisan dasar Pembetulan garis dasar AsLS
Padanan perpustakaan 71%

Keputusan Pengenalan

71%

Sampel adalah konsisten dengan sebatian aromatik tersubstitusi yang mengandungi pelbagai kumpulan berfungsi polar. Padanan perpustakaan terdekat ialah 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, tetapi spektrum menunjukkan ciri yang lebih tipikal bagi sistem kloronitroaromatik. Oleh itu, arah bahan diperluaskan kepada aromatik tersubstitusi dengan substituen hidroksil, nitro, metil, dan mungkin klorin dan bukannya flavonoid tertentu. Interpretasi Mendalam FTIR tidak dipilih untuk tugas ini, jadi bahagian ini hanya menunjukkan hasil carian perpustakaan dan tiada tafsiran AI mendalam dijalankan.

Tafsiran terperinci

  • Padanan perpustakaan teratas: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one #8227
  • Direct evidence assigns 701 cm⁻¹ to metal-oxygen vibrations [4] and 784 cm⁻¹ to ν(NS)δ(CCC) [8], which do not correspond to a typical organic material, potentially indicating an inorganic additive or contamination.
  • The band at 887 cm⁻¹ is attributed to a β-phase [7], inconsistent with an organic compound, but may reflect a polymer crystallinity not present here.
  • The library top hit (73 % confidence) is a flavonoid, yet the spectral signatures of chlorine and nitro groups are absent in that structure, suggesting the library match may not represent the actual material.
  • The analogical literature support is derived from a single study on a specific chloronitro compound and may not fully capture the sample's composition.
  • The exact number and position of substituents cannot be determined from FTIR alone.
  • The absorption at 2155 cm⁻¹ is not definitively assigned and may be an artefact.
  • The possible presence of chlorine is inferred from analogical evidence but is not explicitly supported by direct literature for this sample.

Langkah seterusnya yang disyorkan: Confirm the presence of chlorine by complementary techniques such as X-ray fluorescence (XRF) or elemental analysis. Perform additional spectroscopy (e.g., Raman, NMR) to verify the nitro group and determine the substitution pattern. Compare with reference spectra of chloronitroaromatic compounds and flavonoids to distinguish between structural classes. If the sample is a mixture, consider separation methods (chromatography) to isolate individual components.

Perbandingan Perpustakaan

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 · 1622 1.00 - - -
2 · 1539 0.87 - - -
3 · 1182 0.84 - - -
4 · 1225 0.84 - - -
5 · 1389 0.68 - - -
6 · 1452 0.58 - - -
7 · 3269 0.55 - - -
8 · 962 0.50 - - -
9 · 701 0.45 - - -
10 · 1083 0.44 - - -
11 · 887 0.33 - - -
12 · 784 0.27 - - -
13 · 3624 0.15 - - -
14 · 3565 0.14 - - -
15 · 3529 0.12 - - -
16 · 2155 0.12 - - -

Lampiran — Spektrum Mentah

Spektrum sampel mentah
Dihasilkan oleh FTIR.fun — Laporan #20260420055616087266195
Perbincangan

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