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10-[3'-(Trifluoromethyl)phenyl]-3-(methoxycarbonyl)isoalloxazine
SpectraBase Compound ID 6Gs12zAMoWp
InChI InChI=1S/C19H11F3N4O4/c1-30-18(29)26-16(27)14-15(24-17(26)28)25(13-8-3-2-7-12(13)23-14)11-6-4-5-10(9-11)19(20,21)22/h2-9H,1H3
InChIKey PJKATWDWCLSGJO-UHFFFAOYSA-N
Mol Weight 416.32 g/mol
Molecular Formula C19H11F3N4O4
Exact Mass 416.073239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 60QBdR7kueQ
Name 10-[3'-(Trifluoromethyl)phenyl]-3-(methoxycarbonyl)isoalloxazine
Alternate Name(s) Methyl 2,4-dioxo-10-[3-(trifluoromethyl)phenyl]-4,10-dihydrobenzo[g]pteridine-3(2H)-carboxylate
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Formula C19H11F3N4O4
InChI InChI=1S/C19H11F3N4O4/c1-30-18(29)26-16(27)14-15(24-17(26)28)25(13-8-3-2-7-12(13)23-14)11-6-4-5-10(9-11)19(20,21)22/h2-9H,1H3
InChIKey PJKATWDWCLSGJO-UHFFFAOYSA-N
Molecular Weight 416.316 g/mol
SMILES C=12C(=NC(N(C2=O)C(=O)OC)=O)N(c2cc(C(F)(F)F)ccc2)c2c(N1)cccc2
SPLASH splash10-01b9-0229200000-7ac0a7f3519ef949ba0e
Source of Spectrum U-1995-1279-2
Wiley ID 767224