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aromatic hydrocarbon material with alkyl C-H bands and possible weak oxygenated substitution

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Result No.: 20250620085800698452955 Owner: publicuser Comments: 0
FTIR Analysis Report

aromatic hydrocarbon material with alkyl C-H bands and possible weak oxygenated substitution

Sample & Measurement Parameters

Report No. 20250620085800698452955
Date 2025-06-20 14:00:40
Spectral Range (cm⁻¹) [(650, 4000)]
Baseline AsLS baseline correction
Library match 0%

Identification Result

0%

The ordinary FTIR search does not support a firm compound-level identification for this sample. Although the nearest library entry is 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone, all listed library similarities are effectively zero and there is no direct or related literature evidence to confirm that assignment. The observed spectrum is more cautiously described as an aromatic hydrocarbon-type material showing alkyl C-H stretching and multiple fingerprint-region bands consistent with substituted aromatic structure, with at most limited support for weak oxygenated substitution

Detailed interpretation

  • Top library match: 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone #86
  • The nearest library match, 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone, is not credibly supported because the reported similarity is 0.000.
  • A specific ketone assignment is not supported because no clear characteristic carbonyl band is reported in the usual ketone region.
  • The Top-15 candidates span unrelated chemistries, S-O their shared pattern is too weak to use as a reliable specific direction.
  • The present evidence supports only a broad aromatic hydrocarbon-like direction rather than an entity-level identification.
  • Possible oxygenated functionality remains tentative because the fingerprint-region bands are not accompanied by stronger confirming features.
  • The origin and significance of the many bands from about 1842 to 2292 cm-1 remain unclear from the current evidence packet.

Recommended next steps: Recollect the FTIR spectrum with careful background subtraction and, if possible, higher signal quality to determine whether the 1842-2292 cm-1 region is instrumental/background-related. Check specifically for a true carbonyl absorption in the 1650-1750 cm-1 region before considering ketone-containing candidates such as 1-[3,5-Bis(phenylmethoxy)phenyl]ethanone. If the sample is a solid or coating, ATR-FTIR and transmission comparison may help confirm whether the 1074-1167 cm-1 bands represent genuine C-O stretching. Use a complementary method such as GC-MS or LC-MS if a discrete small molecule is expected, since the ordinary FTIR library result is too weak for compound identification.

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 · 1375 1.00 - - -
2 · 2948 0.43 - - -
3 · 2018 0.41 - - -
4 · 2154 0.40 - - -
5 · 2915 0.38 - - -
6 · 665 0.37 - - -
7 · 2009 0.36 - - -
8 · 2836 0.36 - - -
9 · 2034 0.35 - - -
10 · 2197 0.35 - - -
11 · 1959 0.35 - - -
12 · 2348 0.33 - - -
13 · 2186 0.33 - - -
14 · 1978 0.32 - - -
15 · 1997 0.31 - - -
16 · 1453 0.30 - - -
17 · 2172 0.30 - - -
18 · 1966 0.30 - - -
19 · 2864 0.28 - - -
20 · 2165 0.28 - - -
21 · 1989 0.28 - - -
22 · 973 0.25 - - -
23 · 2250 0.24 - - -
24 · 840 0.21 - - -
25 · 2140 0.20 - - -
26 · 2068 0.20 - - -
27 · 996 0.20 - - -
28 · 2133 0.19 - - -
29 · 2218 0.19 - - -
30 · 2380 0.19 - - -
31 · 1943 0.19 - - -
32 · 808 0.18 - - -
33 · 2041 0.18 - - -
34 · 1912 0.18 - - -
35 · 898 0.17 - - -
36 · 2113 0.17 - - -
37 · 2226 0.17 - - -
38 · 1357 0.17 - - -
39 · 2120 0.17 - - -
40 · 2086 0.17 - - -
41 · 1167 0.16 - - -
42 · 2054 0.15 - - -
43 · 2265 0.15 - - -
44 · 1434 0.15 - - -
45 · 2206 0.15 - - -
46 · 2257 0.14 - - -
47 · 2282 0.14 - - -
48 · 1886 0.14 - - -
49 · 2101 0.13 - - -
50 · 2481 0.12 - - -
51 · 1408 0.12 - - -
52 · 2237 0.12 - - -
53 · 696 0.12 - - -
54 · 2077 0.11 - - -
55 · 782 0.11 - - -
56 · 748 0.11 - - -
57 · 1153 0.10 - - -
58 · 1867 0.10 - - -
59 · 2459 0.10 - - -
60 · 2292 0.10 - - -
61 · 1074 0.10 - - -
62 · 2443 0.10 - - -
63 · 1842 0.10 - - -
64 · 722 0.10 - - -
65 · 1924 0.10 - - -
66 · 1327 0.10 - - -
67 · 939 0.10 - - -

Appendix — Raw Spectrum

Raw sample spectrum
Generated by FTIR.fun — Report #20250620085800698452955 2025-06-20 14:00:40
Discussion

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