UKURASA WA MATOKEO

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

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Nambari ya Matokeo: 20260420055616087266195 Mmiliki: ashl Maoni: 0
Ripoti ya Uchambuzi wa FTIR Ujasiri wa jumla

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

Vigezo vya Sampuli na Kipimo

Ripoti Na. 20260420055616087266195
Tarehe
Masafa ya Spektra (cm⁻¹) N/A
Msingi Marekebisho ya msingi ya AsLS
Uwiano wa maktaba 71%

Matokeo ya Utambulisho

71%

Sampuli inalingana na kiwanja cha kunukia kilichobadilishwa chenye vikundi vya utendaji vya polar vingi. Ulinganifu wa karibu wa maktaba ya spectral ni 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, lakini kipengele cha mwonekano kinaonyesha sifa za kawaida zaidi za mfumo wa chloronitroaromatic. Kwa hiyo, mwelekeo wa nyenzo umepanuliwa hadi kiwanja cha kunukia kilichobadilishwa na hidroksili, nitro, methyl, na klorini iwezekanayo badala ya flavonoid maalum. FTIR In-Depth Interpretation haikuchaguliwa kwa kazi hii, kwa hiyo sehemu hii inaonyesha matokeo ya utafutaji wa maktaba pekee na hakuna tafsiri ya kina ya AI iliyoendeshwa.

Tafsiri ya kina

  • Mechi bora ya maktaba: 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.

Hatua zinazofuata zilizopendekezwa: 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.

Ulinganisho wa Maktaba

Wigo wa maktaba utaonekana hapa.

Matokeo ya Utafutaji wa Maktaba — Watahiniwa 15 Bora

Cheo Linganisha % Kiwanja SMILES Nambari ya wigo Kitendo
Inapakia wagombea wa maktaba...

Uchambuzi wa Kilele

★ = Kazi inayoungwa mkono na fasihi
# Nambari ya mawimbi (cm⁻¹) Mnyonyo Mgawo Nukuu Hali ya ugawaji
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 - - -

Kiambatisho — Spectrum Ghafi

Wigo wa sampuli ghafi
Imetolewa na FTIR.fun — Ripoti #20260420055616087266195
Majadiliano

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