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2-Methyl-3-(trifluoromethyl)naphthalene-1,4-dione
SpectraBase Compound ID 4aoEdYwmeCY
InChI InChI=1S/C12H7F3O2/c1-6-9(12(13,14)15)11(17)8-5-3-2-4-7(8)10(6)16/h2-5H,1H3
InChIKey FEOFZNPPPGCRPP-UHFFFAOYSA-N
Mol Weight 240.18 g/mol
Molecular Formula C12H7F3O2
Exact Mass 240.039814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yhuhvBxgnT
Name 2-Methyl-3-(trifluoromethyl)naphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7F3O2
InChI InChI=1S/C12H7F3O2/c1-6-9(12(13,14)15)11(17)8-5-3-2-4-7(8)10(6)16/h2-5H,1H3
InChIKey FEOFZNPPPGCRPP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol4016095
Molecular Weight 240.181 g/mol
SMILES c1ccc2C(C(=C(C(c2c1)=O)C)C(F)(F)F)=O
SPLASH splash10-0f6x-3970000000-b32268025948c0f04f93
Source of Spectrum A1-15-3730/SMS11-3a
Wiley ID 1748907