RESULT PAGE

ethyl 2-diethoxyphosphorylacetate

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Result No.: 20260117205210154284639 Owner: ftir_83289 Comments: 0
FTIR Analysis Report Moderate confidence

ethyl 2-diethoxyphosphorylacetate

Sample & Measurement Parameters

Report No. 20260117205210154284639
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 78%

Identification Result

78%

The spectrum is best explained by ethyl 2-diethoxyphosphorylacetate, a phosphonate ester, based on a high library similarity (0.928) and close agreement of multiple literature‑reported phosphonate ester bands 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: ethyl 2-diethoxyphosphorylacetate #24276
  • The 1102 cm⁻¹ band has an alternative literature assignment to C–S bonding [13], which is absent in the proposed phosphonate ester; the stronger C–O ether/ester assignment is preferred.
  • A few weaker features (725 cm⁻¹ cis‑double bonds, 1407 cm⁻¹ carbonate) are not intrinsic to a pure phosphonate ester and may arise from trace unsaturation or absorbed CO₂.
  • The presence of minor carboxyl and carbonate signals raises the possibility of a mixture or partial hydrolysis/degradation.
  • Phosphonate‑specific P=O stretching is not fully resolved; deconvolution of the broad 1266 cm⁻¹ region would improve confidence.
  • The library match, although strong, does not guarantee the exact isomer distribution or purity of the sample.

Recommended next steps: Compare the sample spectrum with an authentic ethyl 2‑diethoxyphosphorylacetate standard to confirm the full band profile. Acquire ³¹P NMR or Raman data to unambiguously identify the phosphonate environment and rule out overlapping ester mixtures. Perform thermal analysis (TGA/DSC) to assess sample purity and detect any inorganic contaminants that could account for the 668 and 1407 cm⁻¹ peaks.

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 · 1708 1.00 - - -
2 · 1013 0.92 - - -
3 · 725 0.89 - - -
4 · 1266 0.76 - - -
5 · 1102 0.64 - - -
6 · 1117 0.53 - - -
7 · 1163 0.48 - - -
8 · 668 0.36 - - -
9 · 872 0.28 - - -
10 · 1407 0.18 - - -
11 · 1388 0.17 - - -
12 · 1455 0.16 - - -
13 · 2952 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260117205210154284639
Discussion

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