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10-[3'.5'-(bisTrifluoromethyl)phenyl]-3-(methoxycarbonyl)isoalloxazine
SpectraBase Compound ID LMrL4AHj45O
InChI InChI=1S/C20H10F6N4O4/c1-34-18(33)30-16(31)14-15(28-17(30)32)29(13-5-3-2-4-12(13)27-14)11-7-9(19(21,22)23)6-10(8-11)20(24,25)26/h2-8H,1H3
InChIKey BSYLNKJDAVNXFV-UHFFFAOYSA-N
Mol Weight 484.31 g/mol
Molecular Formula C20H10F6N4O4
Exact Mass 484.060624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BX8lXrsQr5w
Name 10-[3'.5'-(bisTrifluoromethyl)phenyl]-3-(methoxycarbonyl)isoalloxazine
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Formula C20H10F6N4O4
InChI InChI=1S/C20H10F6N4O4/c1-34-18(33)30-16(31)14-15(28-17(30)32)29(13-5-3-2-4-12(13)27-14)11-7-9(19(21,22)23)6-10(8-11)20(24,25)26/h2-8H,1H3
InChIKey BSYLNKJDAVNXFV-UHFFFAOYSA-N
Molecular Weight 484.314 g/mol
SMILES C=12C(=NC(N(C2=O)C(=O)OC)=O)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(N1)cccc2
SPLASH splash10-0016-0004900000-f4cf15d2383acf003966
Source of Spectrum U-1995-1279-2
Synonyms Methyl 10-[3,5-bis(trifluoromethyl)phenyl]-2,4-dioxo-4,10-dihydrobenzo[g]pteridine-3(2H)-carboxylate
Wiley ID 767223