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FTIR IZVJEŠĆE O ANALIZI

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Br.: 20250729045546460431846 Datum: Izvijestio: FTIR.fun Kontakt: [email protected]

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Top 15

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Usporedni grafikon infracrvenog spektra. Rezultat analize: Organic compound with alkene/aromatic unsaturation and hydroxy/phenolic functionalities, likely containing nitrogen.

The sample exhibits bands characteristic of unsaturated (C=C) and hydroxyl groups, together with features attributable to aliphatic C-H, aromatic or C-N vibrations, and a distinct phenolic O-H absorption. Library matching gives a weak top hit propan-2-yl nitrate (15% confidence), but the shared top‑15 chemistry points consistently to alkene/methyl compounds. The overall spectral pattern is consistent with a small organic molecule containing unsaturation and hydroxy/phenolic groups, possibly with nitrogen‑bearing functionality; a definitive structural identification is not possible with the currently available evidence

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Prvih 15 kandidata

Kandidati referentne knjižnice

Rang	Podudaranje %	Naziv spoja	Formula / SMILES	Pregled knjižnice	Radnja
Kandidati referenci učitavaju se pomoću ovog Top-15 radnog okruženja.

Na temelju podudaranja knjižnice i gore navedenih dokaza.

Zaključak

Organic compound with alkene/aromatic unsaturation and hydroxy/phenolic functionalities, likely containing nitrogen

LLM pouzdanost

Zaključak

Direct literature evidence explicitly relates the bands at 1610, 1280, 1378, 754, 3176, and 3539 cm-1 to C=C, alkyl C-H, C-H bending, C-N, phenolic, and hydroxyl groups, respectively, in various organic and hybrid materials [1–6].
The top-15 library consensus features alkene and methyl as the dominant chemical motifs, reinforcing the unsaturated hydrocarbon character of the sample.
The band at 1610 cm-1 is assigned to a C=C double bond vibration, consistent with the explicit report of this mode by Nardi et al. (2013) for a UV‑cured polymer nanocomposite [1].

Dokaz

Ključni dokaz

Vodeće podudaranje iz knjižnice

propan-2-yl nitrate #370

Ograničenja

Dokaz koji ograničava zaključak

The library top match propan-2-yl nitrate is very weak (similarity 0.0, 15% confidence), and characteristic nitrate ester bands (e.g., N-O stretch near 860 cm-1) are absent from the sample spectrum, making this specific identification unsupported.
The C-N assignment at 754 cm-1 originates from a study on mineral‑doped silica gel, and its direct relevance to an organic‑matrix sample is uncertain.
The analogical literature evidence for C-N stretching at 1280 cm-1 from cross‑linked PVA hybrid membranes is only suggestive and cannot be taken as a definitive assignment.
Many of the cited literature sources deal with materials (polymers, nanoparticles, biological extracts, mineral composites) that may differ significantly from the composition of the current sample, reducing the transferable certainty of the peak assignments.
The exact nature of the unsaturation (aliphatic C=C vs. aromatic ring) cannot be determined without additional characteristic bands, such as aromatic C-H stretches above 3000 cm-1 or ring‑breathing modes in the 1450–1600 cm-1 region.

Preporuka

Predložena sljedeća verifikacija

To reduce the present uncertainty, obtain a higher‑resolution spectrum, especially in the fingerprint region (400–1500 cm-1), to search for weaker but structurally indicative bands.
Complementary analysis by mass spectrometry or nuclear magnetic resonance spectroscopy is recommended to confirm the presence of nitrogen and to resolve whether the unsaturation is olefinic or aromatic.
If the sample is a known reaction product or mixture, comparison with a verified reference standard of the suspected compound would greatly improve the reliability of the peak assignments.

Analiza vrhova

Otkriveni vrhovi i interpretacija

★ = Dodjela vrhova potpomognuta literaturom.

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Indeks	Značajka	Valni broj	Apsorbancija	Dokaz	Interpretacija u jednom retku	Citat	Pouzdanost
1	★	1378	1.00	Dodjela potpomognuta literaturom	Vrpca na 1378 cm-1 dodijeljena je C-H asymmetric + symmetric bending.	[3]	LLM pouzdanost
2	★	1610	0.37	Dodjela potpomognuta literaturom	Vrpca na 1610 cm-1 dodijeljena je c=c double bond.	[1]	LLM pouzdanost
3	★	1280	0.29	Dodjela potpomognuta literaturom	Vrpca na 1280 cm-1 dodijeljena je alkyl C-H vibration.	[6]	LLM pouzdanost
4	★	3539	0.17	Analogijska literaturna dodjela	Vrpca na 3539 cm-1 dodijeljena je O-H stretching (hydroxyl).	[8]	Ukupna pouzdanost
5	★	754	0.13	Dodjela potpomognuta literaturom	Vrpca na 754 cm-1 dodijeljena je c n single bond.	[1]	-
6	★	3176	0.12	Dodjela potpomognuta literaturom	Vrpca na 3176 cm-1 dodijeljena je phenolic.	[7]	Ukupna pouzdanost

Literatura

Reference

Br.	Naslov	3. DOI	Stranica
[1]	Nardi 等 - 2013 - UV-cured transparent magnetic polymer nanocomposit	10.1016/j.polymer.2013	-
[2]	El Felss 等 - 2020 - Structural study of the effect of mineral additive	10.1007/s10971-020-05385-x	-
[3]	Cebi - 2021 - Quantification of the Geranium Essential Oil, Palm	10.3390/foods10081848	-
[4]	Kert 等 - 2021 - Application of Fragrance Microcapsules onto Cotton	10.3390/coatings11101181	12
[5]	Ashraf 等 - 2022 - Novel Silica Functionalized Monosodium GlutamateP	10.21203/rs.3.rs-283846/v1	28
[6]	Tyubaeva 等 - 2023 - Development of Nonwoven Fibrous Materials Based on	10.3390/polym15153167	7
[7]	Roy 等 - 2020 - Exploring the Inclusion Complex of a Drug (Umbelli	10.1021/acsomega.0c04716	3
[8]	Mosenfelder 等 - 2022 - Coupled hydrogen and fluorine incorporation in gar	10.2138/am-2021-7880	62

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