TUDALEN CANLYNOL

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

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Rhif Canlyniad: 20260420055616087266195 Perchennog: ashl Sylwadau: 0
Adroddiad Dadansoddi FTIR Hyder cyffredinol

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

Paramedrau Sampl a Mesur

Rhif Adroddiad 20260420055616087266195
Dyddiad
Amrediad Sbectrol (cm⁻¹) N/A
Llinell sylfaen Cywiriad llinell sylfaen AsLS
Cyfatebiaeth llyfrgell 71%

Canlyniad Adnabod

71%

Mae'r sampl yn gyson â chyfansoddyn aromatig wedi'i amnewid sy'n cynnwys grwpiau gweithredol pegynol lluosog. Y cyfatebiaeth llyfrgell agosaf yw 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, ond mae'r sbectrwm yn dangos llofnodion sy'n fwy nodweddiadol o system cloronitroaromatig. O ganlyniad, mae cyfeiriad y deunydd yn cael ei ehangu i gyfansoddyn aromatig wedi'i amnewid â hydroxyl, nitro, methyl, ac amnewidion clorin posibl yn hytrach na flavonoid penodol. Ni ddewiswyd Dehongliad Manwl FTIR ar gyfer y dasg hon, felly mae'r adran hon yn dangos canlyniad chwilio llyfrgell yn unig ac ni chynhaliwyd unrhyw ddehongliad AI dwfn.

Dehongliad manwl

  • Cyfatebiad llyfrgell gorau: 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.

Camau nesaf a argymhellir: 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.

Cymhariaeth Llyfrgell

Bydd sbectrwm y llyfrgell yn ymddangos yma.

Canlyniadau Chwilio Llyfrgell — 15 Ymgeisydd Uchaf

Safle Cyfateb % Cyfansawdd SMILES Rhif sbectrwm Gweithred
Yn llwytho ymgeiswyr llyfrgell...

Dadansoddiad Uchafbwynt

★ = Asesiad â chymorth llenyddiaeth
# Rhif ton (cm⁻¹) Amsugnedd Asiwniad Dyfyniad Statws neilltuaeth
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 - - -

Atodiad — Sbectrwm Crai

Sbectrwm sampl crai
Cynhyrchwyd gan FTIR.fun — Adrodd #20260420055616087266195
Trafodaeth

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