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1,4-Dihydro-2-(4-methoxyphenyl)-3-[(trifluoromethanesulfonyl)oxy]-1,4-naphthalenedione
SpectraBase Compound ID 9VRfqwO4w6T
InChI InChI=1S/C18H11F3O6S/c1-26-11-8-6-10(7-9-11)14-15(22)12-4-2-3-5-13(12)16(23)17(14)27-28(24,25)18(19,20)21/h2-9H,1H3
InChIKey WKTJTMFOMLXAPP-UHFFFAOYSA-N
Mol Weight 412.34 g/mol
Molecular Formula C18H11F3O6S
Exact Mass 412.022844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BcyoCIu7lB
Name 1,4-Dihydro-2-(4-methoxyphenyl)-3-[(trifluoromethanesulfonyl)oxy]-1,4-naphthalenedione
Alternate Name(s) 3-(4-Methoxyphenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl trifluoromethanesulfonate
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Formula C18H11F3O6S
InChI InChI=1S/C18H11F3O6S/c1-26-11-8-6-10(7-9-11)14-15(22)12-4-2-3-5-13(12)16(23)17(14)27-28(24,25)18(19,20)21/h2-9H,1H3
InChIKey WKTJTMFOMLXAPP-UHFFFAOYSA-N
Molecular Weight 412.335 g/mol
SMILES C1(C(=C(C(c2ccccc12)=O)OS(=O)(=O)C(F)(F)F)c1ccc(cc1)OC)=O
SPLASH splash10-0udi-0090000000-e078560bf0858e966cec
Source of Spectrum J-64-8040-15
Wiley ID 1531397