RESULT PAGE

oxygenated organic salt with possible aromatic and carbonyl functionalities, resembling a tartrate but unconfirmed

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Result No.: 20260407095950746204676 Owner: 96795781 Comments: 0
FTIR Analysis Report Moderate confidence

oxygenated organic salt with possible aromatic and carbonyl functionalities, resembling a tartrate but unconfirmed

Sample & Measurement Parameters

Report No. 20260407095950746204676
Date
Spectral Range (cm⁻¹) N/A
Baseline AsLS baseline correction
Library match 66%

Identification Result

66%

The sample is most consistent with an oxygenated organic material containing carboxylate groups and possibly aromatic unsaturation. However, the library match to potassium sodium tartrate tetrahydrate has low confidence, and spectral features including aromatic C=C and combination bands typical of a coumarin derivative argue against a simple tartrate, preventing a definitive identification 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: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate #112124
  • The top library hit, potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate, would not be expected to display the aromatic bands or the coumarin‑type combination pattern seen in the spectrum.
  • The low library similarity (0.602) and the presence of divergent candidates in the top‑15 list indicate that the spectral match is weak and that the true material may be more complex.
  • The exact chemical composition cannot be determined from the current data because the library search did not retrieve a high‑confidence, chemically coherent match.
  • Aromatic, carbonyl, and polysaccharide‑like features are present, but they cannot be uniquely assigned to a single molecular structure without additional analytical information.

Recommended next steps: Obtain a high‑resolution mass spectrum and/or ¹H/¹³C NMR data to establish the molecular formula and core structure. Perform a solvent extraction or chromatography step to isolate the major component, followed by re‑analysis by FTIR and NMR for direct comparison with known standards. If the sample is suspected to contain a coumarin or flavonoid, use a reference library of natural products or synthesize a plausible candidate for comparison.

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 · 1600 1.00 - - -
2 · 3424 0.54 - - -
3 · 2922 0.36 - - -
4 · 1351 0.36 - - -
5 · 708 0.29 - - -
6 · 1381 0.22 - - -
7 · 1445 0.19 - - -
8 · 793 0.18 - - -
9 · 1101 0.18 - - -
10 · 1071 0.16 - - -
11 · 3645 0.14 - - -
12 · 1032 0.13 - - -
13 · 2851 0.12 - - -
14 · 1697 0.12 - - -
15 · 1486 0.10 - - -
16 · 2358 0.09 - - -
17 · 828 0.09 - - -
18 · 1509 0.08 - - -
19 · 618 0.08 - - -
20 · 3851 0.07 - - -
21 · 3019 0.07 - - -
22 · 892 0.06 - - -
23 · 422 0.06 - - -
24 · 1272 0.04 - - -
25 · 1866 0.04 - - -
26 · 2718 0.04 - - -
27 · 3836 0.04 - - -
28 · 3745 0.04 - - -
29 · 1913 0.03 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20260407095950746204676
Discussion

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