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aliphatic alcohol or polyol-type organic material with strong O-H functionality

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Št. rezultata: 20250715145905394837700 Lastnik: publicuser Komentarji: 1
Poročilo o analizi FTIR

aliphatic alcohol or polyol-type organic material with strong O-H functionality

Parametri vzorca in meritve

Št. poročila 20250715145905394837700
Delta 2025-07-17 01:16:21
Spektralno območje (cm⁻¹) [(650, 4000)]
Osnovna linija Korekcija osnovne črte AsLS
Knjižnično ujemanje 0%

Rezultat identifikacije

0%

Spekter ni zanesljivo identificiran kot 6-Chlorohexan-1-ol. Običajno iskanje FTIR je vrnilo ta zapis v knjižnici kot najbližjega imenovanega kandidata, vendar so vse prijavljene podobnosti 0.000 in noben neposredni ali sorodni literaturni dokaz ne podpira te specifične dodelitve. Opazeni pasovi so varneje interpretirani kot alifatični oksigenirani organski material, ki kaže močno absorpcijo O-H, kar je trenutno najbolj skladno z vzorcem alkohola ali poliolnega tipa, ne pa s trdno določenim kloriranim alkoholom.

Podrobna interpretacija

  • Najboljši zadetek knjižnice: 6-Chlorohexan-1-ol #115
  • The library match quality is extremely weak: the top candidate and all other listed candidates have similarity reported as 0.000.
  • No related-literature evidence supports a stable assignment to a particular named material.
  • The spectrum does not provide clear supporting evidence here for a specific C-Cl assignment, S-O the chlorinated part of 6-Chlorohexan-1-ol is not established from the present evidence packet.
  • The 1604 cm-1 feature is not well explained by a simple saturated chlorinated alcohol and may indicate additional chemistry, contamination, or a different material class.
  • The current evidence supports only a broad direction of an aliphatic alcohol or polyol-type organic material.
  • It remains unclear whether the sample is a monoalcohol, diol, mixed oxygenated compound, or a mixture.
  • The significance of the 919 and 969 cm-1 bands is uncertain from the present packet and could reflect additional substitution or unsaturation.
  • Because the retrieval is low-match and literature support is absent, a firm entity-level identification is not justified.

Priporočeni naslednji koraki: Recollect the FTIR spectrum with confirmed background subtraction and full band-shape review, especially in the 3600-3000 and 1200-900 cm-1 regions, to confirm whether the O-H envelope is broad and whether the C-O bands are internally consistent with a monoalcohol or polyol. Check specifically for characteristic C-Cl absorption in the lower fingerprint region below the currently listed peaks before accepting any chlorinated alcohol assignment. If available, run GC-MS or LC-MS to determine whether the sample is a single low-molecular-weight oxygenated compound or a mixture. Acquire complementary NMR, particularly 1H and 13C NMR, to distinguish a simple aliphatic alcohol from a diol or other oxygenated material.

Primerjava knjižnic

Ujemanje skupine:
Spekter knjižnice se bo pojavil tukaj.

Rezultati iskanja po knjižnici — najboljših 15 kandidatov

Uvrstitev Ujemanje % Spojina SMILES Št. spektra {'index': 16, 'corrected': 'Samo na podlagi ujemanja s knjižnico, razvrščenega po podobnosti.'}
Nalaganje kandidatov knjižnice...

Analiza vrhov

★ = Dodelitev, podprta z literaturo
# Valovno število (cm⁻¹) {'index': 12, 'corrected': 'Dodeljena skupina'} Dodelitev {'index': 33, 'corrected': 'Kontakt'} {'index': 21, 'corrected': 'ŠTEVILKA CAS'}
1 · 2969 1.00 - - -
2 · 2930 0.96 - - -
3 · 2867 0.89 - - -
4 · 3362 0.83 - - -
5 · 3301 0.76 - - -
6 · 3323 0.74 - - -
7 · 3194 0.71 - - -
8 · 1058 0.44 - - -
9 · 919 0.43 - - -
10 · 969 0.43 - - -
11 · 1135 0.36 - - -
12 · 1374 0.32 - - -
13 · 1461 0.27 - - -
14 · 1604 0.27 - - -
15 · 1338 0.24 - - -
16 · 1189 0.14 - - -

Dodatek – neobdelan spekter

Surov spekter vzorca
Ustvaril FTIR.fun — Prijavi #20250715145905394837700 2025-07-17 01:16:21
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The above shows the FTIR analysis results of a jpeg file uploaded by a user from USA. The original image is displayed below.20250715145905394837700.jpeg CSV FILE:tem.csv

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