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1-phenyl-3-pentanone
SpectraBase Compound ID Ijq0LkiI1zH
InChI InChI=1S/C11H14O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey GLVAUXMKXKUEEA-UHFFFAOYSA-N
Mol Weight 162.23 g/mol
Molecular Formula C11H14O
Exact Mass 162.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UfeCoi6HA
Name Phenyl pentan-3-one<1->
CAS Registry Number 20795-51-1
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 162.104465070 u
Formula C11H14O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C11H14O/c1-2-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey GLVAUXMKXKUEEA-UHFFFAOYSA-N
Molecular Weight 162.232 g/mol
Nominal Mass 162 u
Number of Peaks 98
SMILES c1cccc(c1)CCC(CC)=O
SPLASH splash10-0a4l-9600000000-78f55cf929a08aad290a
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001109