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4-(2-BENZOTHIAZOLYL)-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
SpectraBase Compound ID 7hqLtOPcLBe
InChI InChI=1S/C18H8F3N3OS2/c19-18(20,21)14-13(15-22-9-5-1-3-7-11(9)26-15)16-24(17(25)23-14)10-6-2-4-8-12(10)27-16/h1-8H
InChIKey XFMUQWDNLPFYSK-UHFFFAOYSA-N
Mol Weight 403.4 g/mol
Molecular Formula C18H8F3N3OS2
Exact Mass 403.006089 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FY1qrGRdRxf
Name 4-(2-BENZOTHIAZOLYL)-3-TRIFLUOROMETHYL-2,3-DIHYDRO-1-H-PYRIMIDO-[6.1-B]-[1.3]-BENZOTHIAZOL-1-ONE
Compound Number V-C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H8F3N3OS2
InChI InChI=1S/C18H8F3N3OS2/c19-18(20,21)14-13(15-22-9-5-1-3-7-11(9)26-15)16-24(17(25)23-14)10-6-2-4-8-12(10)27-16/h1-8H
InChIKey XFMUQWDNLPFYSK-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 UWMZ18715