TUDALEN CANLYNOL

oxygenated aromatic organic material with ether or alcohol functionality

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Rhif Canlyniad: 20250623143940123272531 Perchennog: Mainge Sylwadau: 0
Adroddiad Dadansoddi FTIR

oxygenated aromatic organic material with ether or alcohol functionality

Paramedrau Sampl a Mesur

Rhif Adroddiad 20250623143940123272531
Dyddiad 2025-06-23 06:42:58
Amrediad Sbectrol (cm⁻¹) [(650, 4000)]
Llinell sylfaen Analluogwyd
Cyfatebiaeth llyfrgell 0%

Canlyniad Adnabod

0%

Nid yw tystiolaeth FTIR yn cefnogi aseiniad cadarn i'r prif daro o'r llyfrgell, 2-Bromo-1,1-diethoxyethane. Yn lle hynny, mae'r sbectrwm a arsylwyd yn cael ei ddisgrifio'n fwy amddiffynadwy fel deunydd organig aromatig ocsigenedig sy'n cynnwys ymarferoldeb ether ac/neu alcohol. Mae'r cyfeiriad hwn yn cael ei gefnogi gan fand ymestyn O-H neu N-H ger 3292 cm-1, amsugniadau cryf ardal C-O ar 1018, 1075, 1148, a 1284 cm-1, bandiau cylch aromatig ar 1607 a 1518 cm-1, a band C-H aromatig all-awyren ger 762 cm-1. Mae cymhariaeth y llyfrgell gyfeirio ei hun yn wan iawn, gyda'r holl debygrwydd a adroddwyd ar 0.000 a dim tystiolaeth llenyddiaeth uniongyrchol neu gysylltiedig yn culhau'r adnabyddiaeth ymhellach.

Dehongliad manwl

  • Cyfatebiad llyfrgell gorau: 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.

Camau nesaf a argymhellir: 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.

Cymhariaeth Llyfrgell

Grŵp cyfateb:
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 · 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 - - -

Atodiad — Sbectrwm Crai

Sbectrwm sampl crai
Cynhyrchwyd gan FTIR.fun — Adrodd #20250623143940123272531 2025-06-23 06:42:58
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