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2-AMINO-4-OXO-(3H)-5-TRIFLUOROMETHYLQUINAZOLINE
SpectraBase Compound ID 7eVVK2LGPGv
InChI InChI=1S/C9H6F3N3O/c10-9(11,12)4-2-1-3-5-6(4)7(16)15-8(13)14-5/h1-3H,(H3,13,14,15,16)
InChIKey NOJQKNWGRVCAOC-UHFFFAOYSA-N
Mol Weight 229.16 g/mol
Molecular Formula C9H6F3N3O
Exact Mass 229.046296 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Aru12I3N1my
Name 2-AMINO-4-OXO-(3H)-5-TRIFLUOROMETHYLQUINAZOLINE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6F3N3O
InChI InChI=1S/C9H6F3N3O/c10-9(11,12)4-2-1-3-5-6(4)7(16)15-8(13)14-5/h1-3H,(H3,13,14,15,16)
InChIKey NOJQKNWGRVCAOC-UHFFFAOYSA-N
Literature Reference Author S.K.SINGH,O.S.FETZER,J.B.HYNES,T.C.WILLIAMS
Literature Reference Citation J.HETCYCL.CHEM.,28,1459(1991)
Literature Reference DOI 10.1002/jhet.5570280547
Molecular Weight 229.161 g/mol
Solvent DMSO-D6
Source File Reference UWCP4882