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1-Phenyloctan-3-one

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-Phenyloctan-3-one
SpectraBase Compound ID CyaCYWLJ4Tq
InChI InChI=1S/C14H20O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
InChIKey PMMNDSRSUDQZCC-UHFFFAOYSA-N
Mol Weight 204.31 g/mol
Molecular Formula C14H20O
Exact Mass 204.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpNZhmVM2NW
Name 1-Phenyloctan-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O
InChI InChI=1S/C14H20O/c1-2-3-5-10-14(15)12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
InChIKey PMMNDSRSUDQZCC-UHFFFAOYSA-N
Molecular Weight 204.313 g/mol
SMILES C(CC(CCCCC)=O)c1ccccc1
SPLASH splash10-0006-9030000000-b4dcaf977f8c11c750b5
Source of Spectrum F4-0-3450-3
Synonyms 1-phenyl-3-octanone
Wiley ID 1620855