RESULT PAGE

aromatic / methyl with hydroxyl functionality

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Result No.: 20260129122356689910669 Owner: suzana Comments: 0
FTIR Analysis Report Moderate confidence

aromatic / methyl with hydroxyl functionality

Sample & Measurement Parameters

Report No. 20260129122356689910669
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 74%

Identification Result

74%

The infrared spectrum is dominated by a strong band at 1103 cm⁻¹ and a broad band centered near 3435 cm⁻¹. The 1103 cm⁻¹ absorption is consistent with aromatic C–H in‑plane bending, while the 3435 cm⁻¹ band is characteristic of hydrogen‑bonded O–H stretching. Taken together, the spectral features point to an aromatic compound containing methyl and hydroxyl groups. The library search returned 3‑chloropropyl‑trimethoxysilane as the top match, but the aromatic/methyl consensus across the top‑15 candidates and the absence of clear chlorosilane bands suggest the sample is more likely an aromatic/methyl, hydroxyl‑containing material rather than the specific silane FTIR In-Depth Interpretation was not selected for this task, so this section shows the library-search result only and no deep AI interpretation was run.

Detailed interpretation

  • Top library match: 3-chloropropyl-trimethoxysilane #17489
  • One literature source [2] assigns the 1103 cm⁻¹ band to C–S bonding in a polyaniline system; however, this assignment is not consistent with the aromatic/methyl library consensus and is not adopted as the primary interpretation.
  • The limited number of observed peaks (only two distinct bands) reduces the certainty of the chemical assignment; typical aromatic compounds show several ring breathing and substitution pattern bands that are absent here.
  • The broad 3435 cm⁻¹ band could arise from adsorbed water, silanol groups, or alcoholic hydroxyls; without additional bands (e.g., C–O stretch near 1050–1250 cm⁻¹ pattern differences), the exact hydroxyl environment cannot be distinguished.
  • The library top‑1 match (3‑chloropropyl‑trimethoxysilane) has only moderate confidence (75 %) and its required functional groups (C–Cl, Si–O) are not clearly confirmed, making a definitive identification unlikely.

Recommended next steps: If silane chemistry is suspected, record a spectrum covering the far‑IR region (400–800 cm⁻¹) to detect Si–O–Si bending and C–Cl stretching modes. For aromatic/hydroxyl verification, compare the sample with reference spectra of phenolic compounds (e.g., cresols, benzyl alcohols) and acquire a spectrum with higher resolution in the fingerprint region to resolve potential aromatic ring substitution patterns. Supplementary analysis by NMR (¹H and ¹³C) would greatly aid in clarifying the molecular structure and confirming the presence of methyl, aromatic, and hydroxyl groups.

Library Comparison

Library spectrum will appear here.

Library Search Results — Top 15 Candidates

Rank Match % Compound SMILES Spectrum No. Action
Loading library candidates...

Peak Analysis

★ = Literature-supported assignment
# Wavenumber (cm⁻¹) Absorbance Assignment Citation Assignment status
1 · 1103 1.00 - - -
2 · 3435 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260129122356689910669
Discussion

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