RESULT PAGE

oxygenated aliphatic organic material containing hydroxyl and ester or carboxylic-acid functionality

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Result No.: 20250723172210841439852 Owner: publicuser Comments: 0
FTIR Analysis Report

oxygenated aliphatic organic material containing hydroxyl and ester or carboxylic-acid functionality

Sample & Measurement Parameters

Report No. 20250723172210841439852
Date 2025-07-23 09:23:55
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The spectrum supports an oxygenated organic material rather than a firm match to the named library compound. The main observed bands are a broad O-H feature near 3413 cm-1, aliphatic C-H stretching near 2917 cm-1, a strong carbonyl band at 1734 cm-1, and C-O region absorptions around 1263 and 1093 cm-1. Together these features are chemically consistent with an aliphatic oxygenated substance containing hydroxyl groups and a carbonyl functionality of ester or carboxylic-acid type. However, the reference library comparison is not discriminating here, with all listed candidates at effectively zero similarity and no direct or related literature evidence narrowing the assignment to the specific top library name

Detailed interpretation

  • Top library match: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid #270
  • The top library hit has zero reported similarity, S-O it is not a reliable compound-level identification.
  • No related-literature evidence supports a narrower material assignment.
  • The observed peak set does not provide clear identifying bands for the steroid-like fused-ring structure implied by the top library candidate.
  • The carbonyl at 1734 cm-1 is consistent with more than one oxygenated functional class, especially ester versus carboxylic acid environments.
  • The broad O-H band could arise from alcohol, acid, residual moisture, or hydrogen bonding, which cannot be separated confidently from the current peak list alone.
  • Because the library pattern is weak and chemically heterogeneous, the present evidence supports only a broad oxygenated organic direction.

Recommended next steps: Recollect the FTIR spectrum with baseline correction and confirm whether the 2500-3300 cm-1 region shows the very broad envelope expected for a carboxylic acid O-H band. Inspect the 1800-1600 cm-1 region at higher spectral quality to determine whether the 1734 cm-1 band is a single ester-like carbonyl or part of a broader acid-related pattern. Check for supporting C-O fine structure in the 1300-1000 cm-1 region to distinguish ester-rich from polyol-rich material. If available, use complementary GC-MS or LC-MS for molecular identification, since the current FTIR evidence is insufficient for a defensible entity-level assignment.

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 · 3413 1.00 - - -
2 · 1734 0.77 - - -
3 · 2917 0.65 - - -
4 · 1263 0.64 - - -
5 · 1375 0.59 - - -
6 · 1431 0.58 - - -
7 · 1093 0.56 - - -
8 · 744 0.36 - - -
9 · 946 0.27 - - -
10 · 845 0.17 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250723172210841439852 2025-07-23 09:23:55
Discussion

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