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Phenylacetone
SpectraBase Compound ID BKybUuv7NRd
InChI InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QCCDLTOVEPVEJK-UHFFFAOYSA-N
Mol Weight 134.18 g/mol
Molecular Formula C9H10O
Exact Mass 134.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MnFDOLfgBC
Name 1-phenylpropan-2-one
Carrier Gas (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10O
GC Column DB-5 (30 m x 250 micrometer, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey QCCDLTOVEPVEJK-UHFFFAOYSA-N
Instrument Name Agilent 6890-5973 MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.202307042
Molecular Weight 134.178 g/mol
Quality 314
SMILES C1=CC(=CC=C1)CC(C)=O
SPLASH splash10-0006-9100000000-06a3ed1c7c3b93a21c9f
Source of Spectrum ACI-62-SM15-Figure S12-4 (DOI: 10.1002/anie.202307042)
Wiley ID 1911910