Debug Info

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3256qv8C1LE
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3256qv8C1LE
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Acetophenone
SpectraBase Compound ID 2vwDA8qiyNR
InChI InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey KWOLFJPFCHCOCG-UHFFFAOYSA-N
Mol Weight 120.15 g/mol
Molecular Formula C8H8O
Exact Mass 120.057515 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3256qv8C1LE
Name Acetophenone
Source of Sample SAFC Cat. #W200905
CAS Registry Number 98-86-2
Classification Pesticides
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 120.057514877 u
Formula C8H8O
InChI InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey KWOLFJPFCHCOCG-UHFFFAOYSA-N
Molecular Weight 120.151 g/mol
Number of Peaks 50
RI1 1068
SMILES C(=O)(c1ccccc1)C
SPLASH splash10-0a6r-9700000000-157aba04fb13a96a91ac
Sample Comments RI1: measured on SLB-5ms (Alkanes) RI2: measured on Equity-1 (Alkanes)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms Ethanone, 1-phenyl-
Wiley ID LM_PEST_1152
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