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FTIR GREININGARSKÝRSLA

FTIR litrófsgreiningarskýrsla

Nr.: 20250729045546460431846 Dagsetning: Skýrt af: FTIR.fun Hafa samband: [email protected]

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Topp15

Líkindaröðaður Top-15 safnasamanburður

Safnlitróf mun birtast hér.

Innrautt litrófsamanburðarkort Greiningarniðurstaða: 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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Topp 15 frambjóðendur

Frambjóðendur tilvísunarsafns

Röðun	Samsvörun %	Efnasambandsnafn	Formúla / SMILES	Forsýning safns	Aðgerð
Viðmiðunarframbjóðendur hlaðast með þessu Top-15 vinnuborði

Byggt á bókasafnssamsvörunum og ofangreindum gögnum.

Niðurstaða

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

LLM öryggi

Niðurstaða

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].

Sönnunargögn

Lykilsönnunargögn

Efsta samsvörun í safni

propan-2-yl nitrate #370

Takmarkanir

Sönnunargögn sem takmarka ályktunina

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.

Tillaga

Tillaga um næstu staðfestingu

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.

Tindagreining

Uppgötvaðir toppar og túlkun

★ = Bókmenntastudd toppúthlutun.

Þarfnast formlegs orðalags og handvirkrar yfirferðar? Uppfæra í endurskoðaða skýrslu

Vísitala	Einkenni	Bylgjufjöldi	Gleypni	Sönnunargögn	Einlínu túlkun	Tilvitnun	Öryggi
1	★	1378	1.00	Heimildastudd tilnefning	Bandinu við 1378 cm-1 er úthlutað til C-H asymmetric + symmetric bending.	[3]	LLM öryggi
2	★	1610	0.37	Heimildastudd tilnefning	Bandinu við 1610 cm-1 er úthlutað til c=c double bond.	[1]	LLM öryggi
3	★	1280	0.29	Heimildastudd tilnefning	Bandinu við 1280 cm-1 er úthlutað til alkyl C-H vibration.	[6]	LLM öryggi
4	★	3539	0.17	Hliðstæð bókmenntaúthlutun	Bandinu við 3539 cm-1 er úthlutað til O-H stretching (hydroxyl).	[8]	Heildarvissa
5	★	754	0.13	Heimildastudd tilnefning	Bandinu við 754 cm-1 er úthlutað til c n single bond.	[1]	-
6	★	3176	0.12	Heimildastudd tilnefning	Bandinu við 3176 cm-1 er úthlutað til phenolic.	[7]	Heildarvissa

Heimildir

Nr.	Titill	DOI	Síða
[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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