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1-methyl-2-(trifluoroacetyl)azupyrene
SpectraBase Compound ID D9uX7ZD7bnw
InChI InChI=1S/C19H11F3O/c1-10-13-6-2-4-11-8-9-12-5-3-7-14(17(13)16(11)12)15(10)18(23)19(20,21)22/h2-9H,1H3
InChIKey WSLIKRLFULLWNH-UHFFFAOYSA-N
Mol Weight 312.29 g/mol
Molecular Formula C19H11F3O
Exact Mass 312.076199 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GKMQmJvOGR4
Name 1-methyl-2-(trifluoroacetyl)azupyrene
Alternate Name(s) 2,2,2-trifluoro-1-(2-methyldicyclopenta[ef,kl]heptalen-1-yl)ethanone
CAS Registry Number 111794-63-9
Comments Less than 3 mono-isotopic peaks
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Formula C19H11F3O
InChI InChI=1S/C19H11F3O/c1-10-13-6-2-4-11-8-9-12-5-3-7-14(17(13)16(11)12)15(10)18(23)19(20,21)22/h2-9H,1H3
InChIKey WSLIKRLFULLWNH-UHFFFAOYSA-N
Molecular Weight 312.291 g/mol
SMILES c12c3c(C(C(F)(F)F)=O)c(c2cccc2c1c(cc2)ccc3)C
SPLASH splash10-03dl-0049000000-90db0fe5be36e2a490ce
Source of Spectrum J-53-356-2
Wiley ID 1313440