RESULT PAGE

Oxygenated organic mixture

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Result No.: 20260520111818017698846 Owner: aadhithya Comments: 0
FTIR Analysis Report High confidence

Oxygenated organic mixture

Sample & Measurement Parameters

Report No. 20260520111818017698846
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 84%

Identification Result

84%

The FTIR spectrum is tentatively consistent with an oxygenated organic mixture, possibly an essential oil. The spectral library search returned Sassafras oil as the closest match with moderate confidence (74%), but the available evidence is insufficient for a definitive identification. Key bands support the presence of aromatic/unsaturated rings, alkene unsaturation, and hydroxyl/water groups 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: Sassafras oil #151435
  • The weak band at 2071 cm⁻¹ lacks a clear assignment in the context of an oxygenated organic mixture and may arise from a minor contaminant, adsorbed C-O, or an unusual functional group.
  • Direct literature support for N–H groups (3420 cm⁻¹, [4]) is not expected for a typical sassafras oil (predominantly C, H, O) and suggests the possibility of an amine/amide impurity or misassignment.
  • The peak at 1646 cm⁻¹ can also be interpreted as O–H bending of water, and the broad 3420 cm⁻¹ band may be dominated by moisture, masking more specific structural information.
  • No unequivocal marker bands (e.g., C–Cl, C≡N, strong carbonyl pattern) could be verified with the present evidence, leaving the exact chemical nature unresolved.

Recommended next steps: Perform gas chromatography–mass spectrometry (GC‑MS) to identify volatile organic constituents and confirm or refute the presence of sassafras oil components such as safrole. Obtain a reference FTIR spectrum of authentic Sassafras oil for direct comparison under identical measurement conditions. Use complementary techniques such as Raman spectroscopy or NMR to resolve the ambiguity between alkene unsaturation, carbonyl groups, and moisture contributions.

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 · 3420 0.76 - - -
2 · 1646 0.38 - - -
3 · 765 0.12 - - -
4 · 2071 0.04 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260520111818017698846
Discussion

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