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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwSsiWb4X5W
Name 1-phenylethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Instrument Name Agilent 7890A GC-5975C MS
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215933
Molecular Weight 120.151 g/mol
Quality 719
SMILES C1=CC(=CC=C1)C(=O)C
SPLASH splash10-0a4i-3900000000-2f5e89b013074378182b
Source of Spectrum ACI-62-SM7-Entry 2, Table S1 (DOI: 10.1002/anie.202215933)
Wiley ID 1908383