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2-methyl-5-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
SpectraBase Compound ID IBFvdLU6DTW
InChI InChI=1S/C12H14O2/c1-8(2)4-5-10-7-11(13)9(3)6-12(10)14/h4,6-7H,5H2,1-3H3
InChIKey YCSMZEWZDVVFCU-UHFFFAOYSA-N
Mol Weight 190.24 g/mol
Molecular Formula C12H14O2
Exact Mass 190.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtnrGNY5Hgb
Name 2-methyl-5-(3-methylbut-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione
Appearance Yellow oil
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Formula C12H14O2
InChI InChI=1S/C12H14O2/c1-8(2)4-5-10-7-11(13)9(3)6-12(10)14/h4,6-7H,5H2,1-3H3
InChIKey YCSMZEWZDVVFCU-UHFFFAOYSA-N
Instrument Name Agilent 6890N-5973
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202000307
Molecular Weight 190.242 g/mol
SMILES C=1(C(C=C(C(C1)=O)CC=C(C)C)=O)C
SPLASH splash10-004j-2900000000-2ced17ba95e14897e44d
Source of Spectrum CMC-15-SM16-1
Wiley ID 1856231