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2,4-diamino-10-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]quinolin-5-one
SpectraBase Compound ID 6w9iZQK6t0F
InChI InChI=1S/C18H12F3N5O/c19-18(20,21)9-4-3-5-10(8-9)26-12-7-2-1-6-11(12)14(27)13-15(22)24-17(23)25-16(13)26/h1-8H,(H4,22,23,24,25)
InChIKey DUTXSHHLYOLDOO-UHFFFAOYSA-N
Mol Weight 371.32 g/mol
Molecular Formula C18H12F3N5O
Exact Mass 371.099395 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Q8O40Ub140
Name 2,4-diamino-10-[3-(trifluoromethyl)phenyl]pyrimido[4,5-b]quinolin-5-one
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H12F3N5O
InChI InChI=1S/C18H12F3N5O/c19-18(20,21)9-4-3-5-10(8-9)26-12-7-2-1-6-11(12)14(27)13-15(22)24-17(23)25-16(13)26/h1-8H,(H4,22,23,24,25)
InChIKey DUTXSHHLYOLDOO-UHFFFAOYSA-N
Literature Reference Author J.N.DOMINGUEZ,J.E.CHARRIS,W.BASANTE,B.MENDEZ
Literature Reference Citation MAGN.RES.CHEM.,36,454(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199806)36:6<454::aid-omr249>3.3.co;2-m
Molecular Weight 371.321 g/mol
Solvent DMSO-D6
Source File Reference UWRU1139