RESULT PAGE

oxygenated organic material with carbonyl functionality and possible amine-containing aliphatic groups

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Result No.: 20250416100556356152852 Owner: Kamila Comments: 0
FTIR Analysis Report

oxygenated organic material with carbonyl functionality and possible amine-containing aliphatic groups

Sample & Measurement Parameters

Report No. 20250416100556356152852
Date 2025-04-17 00:54:22
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The current FTIR evidence does not support a firm assignment to the library top hit, 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid. The spectrum is better described more cautiously as an oxygenated organic material showing carbonyl absorption together with aliphatic C-H bands and broad O-H/N-H region intensity. A band near 1719 cm-1 supports a carbonyl-containing component, while 2862-2952 cm-1 indicates alkyl C-H stretching. However, the reference library comparison is effectively non-discriminating because all top similarities are 0.000, and neither direct reference evidence nor related literature provides confirming support. In addition, several unusual high-wavenumber features and weakly interpretable bands prevent a narrower chemically honest conclusion

Detailed interpretation

  • Top library match: 2-[2-(bis(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetic acid #42094
  • The library match quality is extremely weak: the reported top candidate and all other leading entries have similarity 0.000, S-O the named compound is not directly supported by the retrieval score.
  • The library consensus direction of "methyl / nitrogen heterocycle" is not convincingly matched by the observed spectrum because clear aromatic or heterocycle-defining band patterns are not established from the current peak list.
  • Bands at 1813 and 1877 cm-1, and features above 3500 cm-1, complicate interpretation and are not readily explained by the specific top library compound alone.
  • The present data do not distinguish confidently among carboxylic acid, ester, salt, hydrated oxygenated material, or a mixture containing more than one component.
  • Possible amine-containing functionality is suggested only indirectly from the library pattern and mid-infrared fingerprint region; it is not confirmed by independent reference support.
  • The high-wavenumber features at 3591-3819 cm-1 may reflect free O-H, moisture, inorganic hydroxyl-containing contamination, or instrumental/background contributions.
  • Because no coherent direct or literature-supported match is available, the result should remain at a broad material-direction level rather than a specific entity claim.

Recommended next steps: Recollect the FTIR spectrum after careful drying and background renewal to check whether the multiple sharp high-wavenumber features and the 2331 cm-1 region are due to moisture or atmospheric CO2 contributions. Inspect the carbonyl region at higher spectral quality to determine whether the 1719, 1813, and 1877 cm-1 bands represent one compound, an anhydride-like feature set, or overlapping components from a mixture. If this sample is suspected to be a polycarboxylated amine or chelating agent, confirm by complementary analysis such as ATR-FTIR repeat measurement, Raman, and preferably mass spectrometry or NMR. If inorganic content is possible, run elemental analysis or XRF/ICP to test whether the sample includes a salt or hydrate rather than a purely organic carbonyl compound.

Library Comparison

Match group:
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 · 1398 1.00 - - -
2 · 858 0.77 - - -
3 · 1102 0.65 - - -
4 · 927 0.47 - - -
5 · 1719 0.43 - - -
6 · 993 0.40 - - -
7 · 1261 0.40 - - -
8 · 2922 0.39 - - -
9 · 785 0.35 - - -
10 · 2952 0.31 - - -
11 · 1017 0.29 - - -
12 · 2862 0.26 - - -
13 · 729 0.24 - - -
14 · 1634 0.24 - - -
15 · 3405 0.23 - - -
16 · 3819 0.18 - - -
17 · 1220 0.18 - - -
18 · 3768 0.17 - - -
19 · 2331 0.17 - - -
20 · 2093 0.17 - - -
21 · 3626 0.16 - - -
22 · 2761 0.15 - - -
23 · 2725 0.14 - - -
24 · 2270 0.14 - - -
25 · 3689 0.14 - - -
26 · 1877 0.14 - - -
27 · 1813 0.13 - - -
28 · 2636 0.12 - - -
29 · 3171 0.12 - - -
30 · 3591 0.12 - - -
31 · 2561 0.12 - - -
32 · 2490 0.12 - - -
33 · 2691 0.11 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250416100556356152852 2025-04-17 00:54:22
Discussion

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