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4-METHYLTROPONE;4-METHYL-CYCLOHEPTA-2,4,6-TRIENONE
SpectraBase Compound ID 70Q6XhnWH1e
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H3
InChIKey CLXWZFLIMLBJIS-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 4ZlQvqoWXOK
Name 2,4,6-Cycloheptatrien-1-one, 4-methyl-
Alternate Name(s) 4-Methyl-1-cyclohepta-2,4,6-trienone 4-Methylcyclohepta-2,4,6-trien-1-one
CAS Registry Number 1654-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8O
InChI InChI=1S/C8H8O/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H3
InChIKey CLXWZFLIMLBJIS-UHFFFAOYSA-N
Molecular Weight 120.151 g/mol
SMILES C1=CC(C=CC=C1C)=O
SPLASH splash10-0006-9100000000-726958e8ec76dc6ed0cf
Source of Spectrum KC-1986-2007-12
Wiley ID 1127256