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1-OXO-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOLE-4-CARBONITRILE
SpectraBase Compound ID Ci3lknt77ID
InChI InChI=1S/C12H4F3N3OS/c13-12(14,15)9-6(5-16)10-18(11(19)17-9)7-3-1-2-4-8(7)20-10/h1-4H
InChIKey XZUHSVPDIBRUPA-UHFFFAOYSA-N
Mol Weight 295.24 g/mol
Molecular Formula C12H4F3N3OS
Exact Mass 295.002717 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JsWgQ8lH8c8
Name 1-OXO-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOLE-4-CARBONITRILE
Compound Number V-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H4F3N3OS
InChI InChI=1S/C12H4F3N3OS/c13-12(14,15)9-6(5-16)10-18(11(19)17-9)7-3-1-2-4-8(7)20-10/h1-4H
InChIKey XZUHSVPDIBRUPA-UHFFFAOYSA-N
Literature Reference Author M.V.VOVL,P.S.LEBED,V.A.SUKACH,M.Y.KORNILOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1781(2003)
Literature Reference DOI 10.1023/B:RUJO.0000019744.08100.85
Solvent CDCl3
Source File Reference UWMZ18714