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3,3-DIMETHYLBUTANOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
SpectraBase Compound ID KP9B5k6ZQoE
InChI InChI=1S/C15H18F3N3O2S/c1-14(2,3)8-12(22)19-20-13-21(4)10-6-5-9(7-11(10)24-13)23-15(16,17)18/h5-7H,8H2,1-4H3,(H,19,22)/b20-13-
InChIKey PYPVCBLWSWFYNN-MOSHPQCFSA-N
Mol Weight 361.38 g/mol
Molecular Formula C15H18F3N3O2S
Exact Mass 361.107182 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AzWnwIwp3xD
Name 3,3-DIMETHYLBUTANOIC_ACID_(6-TRIFLUOROMETHOXY-3-METHYL-3-H-BENZOTHIAZOL-2-YLIDENE)-HYDRAZIDE
Compound Number 6E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H18F3N3O2S
InChI InChI=1S/C15H18F3N3O2S/c1-14(2,3)8-12(22)19-20-13-21(4)10-6-5-9(7-11(10)24-13)23-15(16,17)18/h5-7H,8H2,1-4H3,(H,19,22)/b20-13-
InChIKey PYPVCBLWSWFYNN-MOSHPQCFSA-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 361.382 g/mol
Solvent DMSO-D6
Source File Reference UWMZ45218