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1-PHENYL-4-CYANO-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-ONE
SpectraBase Compound ID FNphX2IjPow
InChI InChI=1S/C18H10F3N3OS/c19-18(20,21)17(11-6-2-1-3-7-11)23-15(25)12(10-22)16-24(17)13-8-4-5-9-14(13)26-16/h1-9H,(H,23,25)
InChIKey VLYZCCZSCGRBND-UHFFFAOYSA-N
Mol Weight 373.35 g/mol
Molecular Formula C18H10F3N3OS
Exact Mass 373.049668 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eZTa98ThQ3
Name 1-PHENYL-4-CYANO-1-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-ONE
Compound Number IV-A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H10F3N3OS
InChI InChI=1S/C18H10F3N3OS/c19-18(20,21)17(11-6-2-1-3-7-11)23-15(25)12(10-22)16-24(17)13-8-4-5-9-14(13)26-16/h1-9H,(H,23,25)
InChIKey VLYZCCZSCGRBND-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 UWMZ18702