10-[(3',5'-bis(Trifluoromethyl)phenyl]-3-(ethoxycarbonylmethyl)ioalloxazine

SpectraBase Compound ID	PorGCYOkVC
InChI	InChI=1S/C22H14F6N4O4/c1-2-36-16(33)10-31-19(34)17-18(30-20(31)35)32(15-6-4-3-5-14(15)29-17)13-8-11(21(23,24)25)7-12(9-13)22(26,27)28/h3-9H,2,10H2,1H3
InChIKey	AEPBBLXFTYMALN-UHFFFAOYSA-N Google Search
Mol Weight	512.37 g/mol
Molecular Formula	C22H14F6N4O4
Exact Mass	512.091924 g/mol

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SpectraBase Spectrum ID	ELdmDBXJTPG
Name	10-[(3',5'-bis(Trifluoromethyl)phenyl]-3-(ethoxycarbonylmethyl)ioalloxazine
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H14F6N4O4
InChI	InChI=1S/C22H14F6N4O4/c1-2-36-16(33)10-31-19(34)17-18(30-20(31)35)32(15-6-4-3-5-14(15)29-17)13-8-11(21(23,24)25)7-12(9-13)22(26,27)28/h3-9H,2,10H2,1H3
InChIKey	AEPBBLXFTYMALN-UHFFFAOYSA-N
Molecular Weight	512.368 g/mol
SMILES	C1=2C(C(=O)N(C(N2)=O)CC(=O)OCC)=Nc2ccccc2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1
SPLASH	splash10-000i-0000910000-e947c3015c7cbf20bae7
Source of Spectrum	U-1995-1279-9
Synonyms	2-[10-[3,5-bis(trifluoromethyl)phenyl]-2,4-dioxo-3-benzo[g]pteridinyl]acetic acid ethyl ester ethyl 2-[10-[3,5-bis(trifluoromethyl)phenyl]-2,4-dioxobenzo[g]pteridin-3-yl]acetate ethyl 2-[10-[3,5-bis(trifluoromethyl)phenyl]-2,4-dioxo-benzo[g]pteridin-3-yl]acetate ethyl 2-[10-[3,5-bis(trifluoromethyl)phenyl]-2,4-bis(oxidanylidene)benzo[g]pteridin-3-yl]ethanoate
Wiley ID	767227