СТРАНИЦА РЕЗУЛЬТАТОВ

oxygen-containing organic material with C-O stretching, possibly an ether- or ester-like compound

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№ результата: 20250429115832254847990 Владелец: publicuser Комментарии: 1
Отчет анализа FTIR

oxygen-containing organic material with C-O stretching, possibly an ether- or ester-like compound

Параметры образца и измерения

Отчет № 20250429115832254847990
Дата 2025-05-02 09:05:40
Спектральный диапазон (cm⁻¹) [(650, 4000)]
Базовая линия Коррекция базовой линии AsLS
Библиотечное совпадение 0%

Результат идентификации

0%

The present FTIR result does not support a firm compound-level identification. The library Top-1 name is 2-methylpropanoyl 2-methylpropanoate, but the retrieval confidence is effectively absent and the observed sample contains only two listed bands at 992 and 1021 cm-1. Those bands are more consistent with a general oxygen-containing organic material showing C-O stretching than with a securely identified specific molecule. Because no direct reference evidence or closely related literature match was recovered, the safest conclusion is a broad oxygenated organic direction rather than an entity claim

Детальная интерпретация

  • Лучшее совпадение в библиотеке: 2-methylpropanoyl 2-methylpropanoate #29632 | match 0.0%
  1. Bands at 992 and 1021 cm-1 are compatible with C-O-containing organic functionality.
  2. The library Top-15 contains multiple oxygen-bearing candidates, which is at least directionally consistent with an oxygenated organic material.
  3. The Top-1 library name, 2-methylpropanoyl 2-methylpropanoate, is itself an oxygen-containing compound, so the broad oxygenated direction is consistent with the retrieval.
  4. Only two sample bands are available, at 992 and 1021 cm-1, which is too limited for a secure molecular assignment.
  5. The library search returned 2-methylpropanoyl 2-methylpropanoate as Top-1, but all reported similarities are 0.000, so the match is not substantively discriminating.
  6. The broader Top-15 library pattern includes several oxygen-containing candidates and the library consensus notes oxygen heterocycle / ring 6m, but this pattern is not strong enough to require a ring assignment for the current sample.
  7. The observed bands fall in a region commonly associated with C-O-related stretching or fingerprint-region skeletal vibrations in oxygenated organic compounds.
  8. No direct reference statement or related-literature evidence independently supports the specific Top-1 compound.
  • The library confidence is low, with zero-reported similarity values across the leading hits.
  • The sample does not show enough reported bands to support the carbonyl-bearing specific Top-1 assignment.
  • The library consensus suggesting an oxygen heterocycle or six-membered ring is not directly supported by the two reported peaks alone.
  • A carbonyl-containing ester assignment remains unverified because no characteristic carbonyl band is reported.
  • A ring-containing oxygen heterocycle cannot be confirmed from the current peak list.
  • With only two fingerprint-region bands, several different oxygenated organic materials remain plausible.

Рекомендуемые следующие шаги: Recollect the full FTIR spectrum over the standard mid-IR range and verify whether a strong carbonyl band near about 1735-1810 cm-1 is present; this is critical for testing the Top-1 ester-like candidate. Check for broader C-H stretching and fingerprint features to distinguish a simple oxygenated aliphatic compound from a cyclic ether or other oxygen-containing material. If the sample amount permits, confirm composition with GC-MS or LC-MS to determine whether a discrete low-molecular-weight oxygenated compound such as 2-methylpropanoyl 2-methylpropanoate is actually present. If a ring-containing oxygenated material is suspected, compare against a reference spectrum with full-band matching rather than relying on the two currently listed peaks.

Сравнение библиотек

Группа соответствия:
Спектр библиотеки появится здесь.

Результаты поиска по библиотеке — Топ-15 кандидатов

Ранг Совпадение % Составной SMILES Спектр № Действие
Загрузка кандидатов из библиотеки...

Анализ пиков

★ = Подтвержденное литературой присвоение
# Волновое число (cm⁻¹) Поглощение Отнесение Цитирование Статус отнесения
1 · 1021 1.00 - - -
2 · 992 0.47 - - -

Приложение — Исходный спектр

Спектр исходного образца
Сгенерировано FTIR.fun — Пожаловаться #20250429115832254847990 2025-05-02 09:05:40
Обсуждение

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