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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 2n22VixWmfL
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
Comments Less than 3 mono-isotopic peaks
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(C=CC(=CC=C1)C)=O
SPLASH splash10-0006-9200000000-5eb3ccce88b682ebc1f5
Source of Spectrum F9-1987-2346-0
Wiley ID 1565876