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ACETIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID HrvhJ80MMrR
InChI InChI=1S/C11H10F3N3O2S/c1-6(18)15-16-10-17(2)8-4-3-7(5-9(8)20-10)19-11(12,13)14/h3-5H,1-2H3,(H,15,18)/b16-10-
InChIKey PINBTIXKIMTDHZ-YBEGLDIGSA-N
Mol Weight 305.28 g/mol
Molecular Formula C11H10F3N3O2S
Exact Mass 305.044582 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FK2HmIavCHI
Name ACETIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10F3N3O2S
InChI InChI=1S/C11H10F3N3O2S/c1-6(18)15-16-10-17(2)8-4-3-7(5-9(8)20-10)19-11(12,13)14/h3-5H,1-2H3,(H,15,18)/b16-10-
InChIKey PINBTIXKIMTDHZ-YBEGLDIGSA-N
Literature Reference Author P.C.FRITCH,G.MCNAUGHTON-SMITH,G.S.AMATO,J.F.BURNS,C.W.EARGLE ,R.ROELOFFS,W.HARRIS
Literature Reference Citation J.MED.CHEM.,53,887(2010)
Literature Reference DOI 10.1021/jm901497b
Molecular Weight 305.275 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45217