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10-[(3'-Trifluoromethyl)phenyl]-3-(ethoxycarbonylmethyl)ioalloxazine
SpectraBase Compound ID 9conSodAOrn
InChI InChI=1S/C21H15F3N4O4/c1-2-32-16(29)11-27-19(30)17-18(26-20(27)31)28(15-9-4-3-8-14(15)25-17)13-7-5-6-12(10-13)21(22,23)24/h3-10H,2,11H2,1H3
InChIKey YJUBQDJOJDWZNL-UHFFFAOYSA-N
Mol Weight 444.37 g/mol
Molecular Formula C21H15F3N4O4
Exact Mass 444.104539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrZI6uLDsKi
Name 10-[(3'-Trifluoromethyl)phenyl]-3-(ethoxycarbonylmethyl)ioalloxazine
Alternate Name(s) 2-[2,4-dioxo-10-[3-(trifluoromethyl)phenyl]-3-benzo[g]pteridinyl]acetic acid ethyl ester Ethyl 2-[2,4-dioxo-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridin-3-yl]acetate Ethyl 2-[2,4-bis(oxidanylidene)-10-[3-(trifluoromethyl)phenyl]benzo[g]pteridin-3-yl]ethanoate
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Formula C21H15F3N4O4
InChI InChI=1S/C21H15F3N4O4/c1-2-32-16(29)11-27-19(30)17-18(26-20(27)31)28(15-9-4-3-8-14(15)25-17)13-7-5-6-12(10-13)21(22,23)24/h3-10H,2,11H2,1H3
InChIKey YJUBQDJOJDWZNL-UHFFFAOYSA-N
Molecular Weight 444.370 g/mol
SMILES C1=2C(C(=O)N(C(N2)=O)CC(=O)OCC)=Nc2ccccc2N1c1cc(C(F)(F)F)ccc1
SPLASH splash10-00dl-0019600000-33c5fd525725112ebe83
Source of Spectrum U-1995-1279-9
Wiley ID 767228