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3-Methyl-5-phenylcyclohepta-2,4-dienone
SpectraBase Compound ID 8j1kBJdg9ij
InChI InChI=1S/C14H14O/c1-11-9-13(7-8-14(15)10-11)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKey PRNPUFWREWBUMM-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C14H14O
Exact Mass 198.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 189b322U74U
Name 3-Methyl-5-phenylcyclohepta-2,4-dienone
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 198.104465070 u
Formula C14H14O
InChI InChI=1S/C14H14O/c1-11-9-13(7-8-14(15)10-11)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKey PRNPUFWREWBUMM-UHFFFAOYSA-N
Instrument Name Agilent Technologies 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/chem.201404487
Molecular Weight 198.265 g/mol
Quality 416
Reported Formula C14H14O
SMILES CC1=CC(CCC(=C1)C1=CC=CC=C1)=O
SPLASH splash10-0adi-1900000000-ee4b39ffa8cf2bc384c8
Source of Spectrum QE-21-SM30-35m (DOI: 10.1002/chem.201404487)
Thin-Layer Chromatography 0.16 (PE/EtOAc, 90:10)
Wiley ID 1906819