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2-methyl-6-[(trifluoromethanesulfonyl)oxyl]-1,4-naphthoquinone
SpectraBase Compound ID K5QkxTBsCRe
InChI InChI=1S/C12H7F3O5S/c1-6-4-10(16)9-5-7(2-3-8(9)11(6)17)20-21(18,19)12(13,14)15/h2-5H,1H3
InChIKey VNRQJLPRPXDDOY-UHFFFAOYSA-N
Mol Weight 320.24 g/mol
Molecular Formula C12H7F3O5S
Exact Mass 319.996629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PP5ToF9qq6
Name 2-methyl-6-[(trifluoromethanesulfonyl)oxyl]-1,4-naphthoquinone
Comments Less than 3 mono-isotopic peaks
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Formula C12H7F3O5S
InChI InChI=1S/C12H7F3O5S/c1-6-4-10(16)9-5-7(2-3-8(9)11(6)17)20-21(18,19)12(13,14)15/h2-5H,1H3
InChIKey VNRQJLPRPXDDOY-UHFFFAOYSA-N
Molecular Weight 320.238 g/mol
SMILES C(S(Oc1cc2C(C=C(C(c2cc1)=O)C)=O)(=O)=O)(F)(F)F
SPLASH splash10-00di-0209000000-081c2e44b7e793b1526e
Source of Spectrum F2-46-5787-42
Synonyms trifluoromethanesulfonic acid (6-methyl-5,8-dioxo-2-naphthalenyl) ester (6-methyl-5,8-dioxonaphthalen-2-yl) trifluoromethanesulfonate (6-methyl-5,8-dioxo-2-naphthyl) trifluoromethanesulfonate [6-methyl-5,8-bis(oxidanylidene)naphthalen-2-yl] tris(fluoranyl)methanesulfonate
Wiley ID 1704011