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4,5,6,7-TETRAFLUORO-1,3-BENZOTHIAZOLE-2-(3H)-THIONE
SpectraBase Compound ID 7lVjYvBNE1u
InChI InChI=1S/C7HF4NS2/c8-1-2(9)4(11)6-5(3(1)10)12-7(13)14-6/h(H,12,13)
InChIKey AVWSRQLOHNLLTF-UHFFFAOYSA-N
Mol Weight 239.21 g/mol
Molecular Formula C7HF4NS2
Exact Mass 238.948654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3GUBdewBOIz
Name 4,5,6,7-TETRAFLUORO-1,3-BENZOTHIAZOLE-2-(3H)-THIONE
Compound Number 10I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7HF4NS2
InChI InChI=1S/C7HF4NS2/c8-1-2(9)4(11)6-5(3(1)10)12-7(13)14-6/h(H,12,13)
InChIKey AVWSRQLOHNLLTF-UHFFFAOYSA-N
Literature Reference Author L.ZHU,M.ZHANG
Literature Reference Citation J.ORG.CHEM.,69,7371(2004)
Literature Reference DOI 10.1021/jo049056s
Molecular Weight 239.205 g/mol
Solvent DMSO-D6
Source File Reference UWVN22536