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2-Methyl-8-trifluoromethoxy-3,4-dihydro[1,2,4]thiadiazino[3,4-b]benzothiazolium chloride
SpectraBase Compound ID 1b9xMCgJV4Y
InChI InChI=1S/C11H10F3N2OS2.ClH/c1-19-5-4-16-8-3-2-7(17-11(12,13)14)6-9(8)18-10(16)15-19;/h2-3,6H,4-5H2,1H3;1H/q+1;/p-1
InChIKey ZHLDPQUGHYJQLB-UHFFFAOYSA-M
Mol Weight 342.78 g/mol
Molecular Formula C11H10ClF3N2OS2
Exact Mass 341.987517 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vf6YeLGwKR
Name 2-METHYL-8-TRIFLUOROMETHOXY-3,4-DIHYDRO-[1,2,4]-THIADIAZINO-[3,4-B]-BENZOTHIAZOLIUM-CHLORIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10ClF3N2OS2
InChI InChI=1S/C11H10F3N2OS2.ClH/c1-19-5-4-16-8-3-2-7(17-11(12,13)14)6-9(8)18-10(16)15-19;/h2-3,6H,4-5H2,1H3;1H/q+1;/p-1
InChIKey ZHLDPQUGHYJQLB-UHFFFAOYSA-M
Literature Reference Author P.JIMONET,F.AUDIAU,M.BARREAU,S.MIGNANI
Literature Reference Citation HETEROCYCLES,36,2745(1993)
Literature Reference DOI 10.3987/COM-93-6495
Molecular Weight 342.781 g/mol
Solvent DMSO-D6
Source File Reference UWCP6408